2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine

C18H23N5 — CID 68696826

IUPAC2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine
SMILESCc1cnc(NC2CCCCC2)nc1CC#N.c1ccncc1
InChIInChI=1S/C13H18N4.C5H5N/c1-10-9-15-13(17-12(10)7-8-14)16-11-5-3-2-4-6-11;1-2-4-6-5-3-1/h9,11H,2-7H2,1H3,(H,15,16,17);1-5H
InChIKeyGLEBAFHQVSQKIP-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.68
Rot. Bonds3

About 2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine

2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine (PubChem CID 68696826) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine
PubChem CID68696826
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine
SMILESCc1cnc(NC2CCCCC2)nc1CC#N.c1ccncc1
InChIInChI=1S/C13H18N4.C5H5N/c1-10-9-15-13(17-12(10)7-8-14)16-11-5-3-2-4-6-11;1-2-4-6-5-3-1/h9,11H,2-7H2,1H3,(H,15,16,17);1-5H
InChIKeyGLEBAFHQVSQKIP-UHFFFAOYSA-N
XLogP3.68
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine
CID 68695606
2-[5-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]acetonitrile
CID 68697598
2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile
CID 158219239
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
N,4-dicyclopropyl-5-methylpyrimidin-2-amine
CID 64919141
2-[6-[benzyl(methyl)amino]-2-pyridinyl]-2-[2-(cyclopentylamino)-5-methylpyrimidin-4-yl]acetonitrile
CID 11350463
2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 123184269
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
N-cycloheptyl-6-methylquinazolin-2-amine
CID 176973176
N-cyclohexyl-6-methylquinazolin-2-amine
CID 156833151

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine?
The IUPAC name of 2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine (CID 68696826) is 2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine.
What is the SMILES notation for 2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine?
The canonical SMILES for 2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine is Cc1cnc(NC2CCCCC2)nc1CC#N.c1ccncc1.
What is the InChIKey of 2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine?
The InChIKey is GLEBAFHQVSQKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.C5H5N/c1-10-9-15-13(17-12(10)7-8-14)16-11-5-3-2-4-6-11;1-2-4-6-5-3-1/h9,11H,2-7H2,1H3,(H,15,16,17);1-5H.
What are the key properties of 2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine?
2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine has a molecular weight of 309.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine is sourced from PubChem (CID 68696826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).