4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine

C70H80F6N26O4S2 — CID 162163700

IUPAC4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine
SMILESN#Cc1c(N)ncnc1N1CCCCC1.N#Cc1c(N)ncnc1N1CCCc2ccccc21.Nc1cc(N2CCCCC2)ncn1.Nc1cc(N2CCCc3ccccc32)ncn1.Nc1ncnc(N2CCCCC2)c1S(=O)(=O)C(F)(F)F.Nc1ncnc(N2CCCc3ccccc32)c1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H13F3N4O2S.C14H13N5.C13H14N4.C10H13F3N4O2S.C10H13N5.C9H14N4/c15-14(16,17)24(22,23)11-12(18)19-8-20-13(11)21-7-3-5-9-4-1-2-6-10(9)21;15-8-11-13(16)17-9-18-14(11)19-7-3-5-10-4-1-2-6-12(10)19;14-12-8-13(16-9-15-12)17-7-3-5-10-4-1-2-6-11(10)17;11-10(12,13)20(18,19)7-8(14)15-6-16-9(7)17-4-2-1-3-5-17;11-6-8-9(12)13-7-14-10(8)15-4-2-1-3-5-15;10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h1-2,4,6,8H,3,5,7H2,(H2,18,19,20);1-2,4,6,9H,3,5,7H2,(H2,16,17,18);1-2,4,6,8-9H,3,5,7H2,(H2,14,15,16);6H,1-5H2,(H2,14,15,16);7H,1-5H2,(H2,12,13,14);6-7H,1-5H2,(H2,10,11,12)
InChIKeyZMVKMIKKQQUNIB-UHFFFAOYSA-N
MW1527.71 g/mol
LogP9.91
Rot. Bonds8

About 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine

4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine (PubChem CID 162163700) has the molecular formula C70H80F6N26O4S2 and a molecular weight of 1527.71 g/mol. Its IUPAC name is 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine.

Molecular Properties

Compound Name4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine
PubChem CID162163700
Molecular FormulaC70H80F6N26O4S2
Molecular Weight1527.71 g/mol
Exact Mass1526.62
IUPAC Name4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine
SMILESN#Cc1c(N)ncnc1N1CCCCC1.N#Cc1c(N)ncnc1N1CCCc2ccccc21.Nc1cc(N2CCCCC2)ncn1.Nc1cc(N2CCCc3ccccc32)ncn1.Nc1ncnc(N2CCCCC2)c1S(=O)(=O)C(F)(F)F.Nc1ncnc(N2CCCc3ccccc32)c1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H13F3N4O2S.C14H13N5.C13H14N4.C10H13F3N4O2S.C10H13N5.C9H14N4/c15-14(16,17)24(22,23)11-12(18)19-8-20-13(11)21-7-3-5-9-4-1-2-6-10(9)21;15-8-11-13(16)17-9-18-14(11)19-7-3-5-10-4-1-2-6-12(10)19;14-12-8-13(16-9-15-12)17-7-3-5-10-4-1-2-6-11(10)17;11-10(12,13)20(18,19)7-8(14)15-6-16-9(7)17-4-2-1-3-5-17;11-6-8-9(12)13-7-14-10(8)15-4-2-1-3-5-15;10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h1-2,4,6,8H,3,5,7H2,(H2,18,19,20);1-2,4,6,9H,3,5,7H2,(H2,16,17,18);1-2,4,6,8-9H,3,5,7H2,(H2,14,15,16);6H,1-5H2,(H2,14,15,16);7H,1-5H2,(H2,12,13,14);6-7H,1-5H2,(H2,10,11,12)
InChIKeyZMVKMIKKQQUNIB-UHFFFAOYSA-N
XLogP9.91
TPSA446.10 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001527.71
LogP ≤ 59.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The IUPAC name of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine (CID 162163700) is 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine.
What is the SMILES notation for 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The canonical SMILES for 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine is N#Cc1c(N)ncnc1N1CCCCC1.N#Cc1c(N)ncnc1N1CCCc2ccccc21.Nc1cc(N2CCCCC2)ncn1.Nc1cc(N2CCCc3ccccc32)ncn1.Nc1ncnc(N2CCCCC2)c1S(=O)(=O)C(F)(F)F.Nc1ncnc(N2CCCc3ccccc32)c1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
The InChIKey is ZMVKMIKKQQUNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S.C14H13N5.C13H14N4.C10H13F3N4O2S.C10H13N5.C9H14N4/c15-14(16,17)24(22,23)11-12(18)19-8-20-13(11)21-7-3-5-9-4-1-2-6-10(9)21;15-8-11-13(16)17-9-18-14(11)19-7-3-5-10-4-1-2-6-12(10)19;14-12-8-13(16-9-15-12)17-7-3-5-10-4-1-2-6-11(10)17;11-10(12,13)20(18,19)7-8(14)15-6-16-9(7)17-4-2-1-3-5-17;11-6-8-9(12)13-7-14-10(8)15-4-2-1-3-5-15;10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h1-2,4,6,8H,3,5,7H2,(H2,18,19,20);1-2,4,6,9H,3,5,7H2,(H2,16,17,18);1-2,4,6,8-9H,3,5,7H2,(H2,14,15,16);6H,1-5H2,(H2,14,15,16);7H,1-5H2,(H2,12,13,14);6-7H,1-5H2,(H2,10,11,12).
What are the key properties of 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine?
4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine has a molecular weight of 1527.71 g/mol, XLogP of 9.91, 8 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile;4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;6-piperidin-1-ylpyrimidin-4-amine;6-piperidin-1-yl-5-(trifluoromethylsulfonyl)pyrimidin-4-amine is sourced from PubChem (CID 162163700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).