3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile

C19H15N7O — CID 134539194

IUPAC3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)c2cnc(NC3(c4cnc(N)cn4)CC3)nc2)c1
InChIInChI=1S/C19H15N7O/c20-7-12-2-1-3-13(6-12)17(27)14-8-24-18(25-9-14)26-19(4-5-19)15-10-23-16(21)11-22-15/h1-3,6,8-11H,4-5H2,(H2,21,23)(H,24,25,26)
InChIKeyMZYPHHZFXMWMOY-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.05
Rot. Bonds5

About 3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile

3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile (PubChem CID 134539194) has the molecular formula C19H15N7O and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile
PubChem CID134539194
Molecular FormulaC19H15N7O
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)c2cnc(NC3(c4cnc(N)cn4)CC3)nc2)c1
InChIInChI=1S/C19H15N7O/c20-7-12-2-1-3-13(6-12)17(27)14-8-24-18(25-9-14)26-19(4-5-19)15-10-23-16(21)11-22-15/h1-3,6,8-11H,4-5H2,(H2,21,23)(H,24,25,26)
InChIKeyMZYPHHZFXMWMOY-UHFFFAOYSA-N
XLogP2.05
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[(1-methylpiperidin-4-yl)methylamino]pyrimidine-5-carbonyl]benzonitrile
CID 134539269
6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid
CID 61319190
3-(2-amino-5-bromobenzoyl)benzonitrile
CID 23078646
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705
3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
3-cyano-N-(5-iodo-2-pyridinyl)benzamide
CID 65098930
3-cyanobenzoic acid;silver
CID 88821173
2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid
CID 67154339
2-(3-cyanoanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267947
3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658298
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile?
The IUPAC name of 3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile (CID 134539194) is 3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile.
What is the SMILES notation for 3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile?
The canonical SMILES for 3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile is N#Cc1cccc(C(=O)c2cnc(NC3(c4cnc(N)cn4)CC3)nc2)c1.
What is the InChIKey of 3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile?
The InChIKey is MZYPHHZFXMWMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O/c20-7-12-2-1-3-13(6-12)17(27)14-8-24-18(25-9-14)26-19(4-5-19)15-10-23-16(21)11-22-15/h1-3,6,8-11H,4-5H2,(H2,21,23)(H,24,25,26).
What are the key properties of 3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile?
3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile has a molecular weight of 357.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(5-aminopyrazin-2-yl)cyclopropyl]amino]pyrimidine-5-carbonyl]benzonitrile is sourced from PubChem (CID 134539194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).