2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine

C16H27N5 — CID 80958989

IUPAC2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCC(N(C)C)C2)nc(C2CC2)n1
InChIInChI=1S/C16H27N5/c1-4-8-17-14-10-15(19-16(18-14)12-5-6-12)21-9-7-13(11-21)20(2)3/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyAWBXKRVMBXOQFD-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.32
Rot. Bonds6

About 2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine

2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine (PubChem CID 80958989) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
PubChem CID80958989
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCC(N(C)C)C2)nc(C2CC2)n1
InChIInChI=1S/C16H27N5/c1-4-8-17-14-10-15(19-16(18-14)12-5-6-12)21-9-7-13(11-21)20(2)3/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyAWBXKRVMBXOQFD-UHFFFAOYSA-N
XLogP2.32
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80831792
2-cyclopropyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80955847
2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine
CID 104961859
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80967538
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957698
[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 106772775
1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957543
[1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80967620
4-N-butyl-2-cyclopropyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80955798

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine (CID 80958989) is 2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCC(N(C)C)C2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine?
The InChIKey is AWBXKRVMBXOQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-8-17-14-10-15(19-16(18-14)12-5-6-12)21-9-7-13(11-21)20(2)3/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80958989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).