4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile

C17H19N7 — CID 151955106

IUPAC4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)[C@H]1N(C)C=CN1c1ccccc1
InChIInChI=1S/C17H19N7/c1-12(22-16-14(10-18)15(19)20-11-21-16)17-23(2)8-9-24(17)13-6-4-3-5-7-13/h3-9,11-12,17H,1-2H3,(H3,19,20,21,22)/t12?,17-/m0/s1
InChIKeyTXLRBYVSTYUEER-TYJDENFWSA-N
MW321.39 g/mol
LogP1.98
Rot. Bonds4

About 4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 151955106) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID151955106
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)[C@H]1N(C)C=CN1c1ccccc1
InChIInChI=1S/C17H19N7/c1-12(22-16-14(10-18)15(19)20-11-21-16)17-23(2)8-9-24(17)13-6-4-3-5-7-13/h3-9,11-12,17H,1-2H3,(H3,19,20,21,22)/t12?,17-/m0/s1
InChIKeyTXLRBYVSTYUEER-TYJDENFWSA-N
XLogP1.98
TPSA94.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
Bisanilinopyrimidine, 6g
CID 70702138
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547268
4-Amino-2-(4-fluoroanilino)-5-pyrimidinecarbonitrile
CID 2816557
4-[[4-(Benzylamino)pyrimidin-2-yl]amino]benzonitrile
CID 488809
1,2-Dimethyl-4-[ethyl(phenyl)amino]-6-(methylamino)-1-pyrimidinium
CID 3938007
6-(4-methylpiperazin-1-yl)-4-N-phenylpyrimidine-2,4-diamine
CID 16061839
(R)-N4-benzyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 16061844
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline
CID 22493289
4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine
CID 22493415
4-(2,2-Dimethyl-propylamino)-5-{3-[4-(4-methyl-piperazin-1-yl)-phenyl]-prop-1-ynyl}-pyrimidine-2-carbonitrile
CID 44450271

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile (CID 151955106) is 4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile is CC(Nc1ncnc(N)c1C#N)[C@H]1N(C)C=CN1c1ccccc1.
What is the InChIKey of 4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is TXLRBYVSTYUEER-TYJDENFWSA-N. The full InChI is InChI=1S/C17H19N7/c1-12(22-16-14(10-18)15(19)20-11-21-16)17-23(2)8-9-24(17)13-6-4-3-5-7-13/h3-9,11-12,17H,1-2H3,(H3,19,20,21,22)/t12?,17-/m0/s1.
What are the key properties of 4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 321.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 151955106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).