4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile

C16H17N5 — CID 67458087

IUPAC4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile
SMILESCCc1nc(N[C@@H]2CCc3ccccc32)nc(N)c1C#N
InChIInChI=1S/C16H17N5/c1-2-13-12(9-17)15(18)21-16(19-13)20-14-8-7-10-5-3-4-6-11(10)14/h3-6,14H,2,7-8H2,1H3,(H3,18,19,20,21)/t14-/m1/s1
InChIKeyFWDPACSUURWTKG-CQSZACIVSA-N
MW279.35 g/mol
LogP2.59
Rot. Bonds3

About 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile

4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile (PubChem CID 67458087) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile
PubChem CID67458087
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile
SMILESCCc1nc(N[C@@H]2CCc3ccccc32)nc(N)c1C#N
InChIInChI=1S/C16H17N5/c1-2-13-12(9-17)15(18)21-16(19-13)20-14-8-7-10-5-3-4-6-11(10)14/h3-6,14H,2,7-8H2,1H3,(H3,18,19,20,21)/t14-/m1/s1
InChIKeyFWDPACSUURWTKG-CQSZACIVSA-N
XLogP2.59
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile with MolForge

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Related Compounds

2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)benzonitrile
CID 11256439
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
4-(Piperazin-1-yl)-5H-indeno[1,2-d]pyrimidin-2-amine
CID 25128823
4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)benzonitrile
CID 16062784
2-benzyl-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 25070909
2-benzyl-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 25071230
4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine
CID 46228436
N-methyl-2-(1-phenylethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 59312249

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile (CID 67458087) is 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile is CCc1nc(N[C@@H]2CCc3ccccc32)nc(N)c1C#N.
What is the InChIKey of 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile?
The InChIKey is FWDPACSUURWTKG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-13-12(9-17)15(18)21-16(19-13)20-14-8-7-10-5-3-4-6-11(10)14/h3-6,14H,2,7-8H2,1H3,(H3,18,19,20,21)/t14-/m1/s1.
What are the key properties of 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile?
4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile is sourced from PubChem (CID 67458087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).