2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile

C19H22N4 — CID 158219239

IUPAC2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2CCCCCCC2)nc1-c1ccccc1
InChIInChI=1S/C19H22N4/c20-13-16-14-21-19(22-17-11-7-2-1-3-8-12-17)23-18(16)15-9-5-4-6-10-15/h4-6,9-10,14,17H,1-3,7-8,11-12H2,(H,21,22,23)
InChIKeyGDAQETBMPPLRDQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.54
Rot. Bonds3

About 2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile

2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile (PubChem CID 158219239) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile
PubChem CID158219239
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2CCCCCCC2)nc1-c1ccccc1
InChIInChI=1S/C19H22N4/c20-13-16-14-21-19(22-17-11-7-2-1-3-8-12-17)23-18(16)15-9-5-4-6-10-15/h4-6,9-10,14,17H,1-3,7-8,11-12H2,(H,21,22,23)
InChIKeyGDAQETBMPPLRDQ-UHFFFAOYSA-N
XLogP4.54
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
4-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 25020947
4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile
CID 164855035
2-(cyclohexylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile
CID 77147194
4-(cyclobutylamino)-6-(N-phenylanilino)pyridine-3-carbonitrile
CID 153375817
2-(cyclopentylamino)benzonitrile
CID 10535560
2-(4-butoxyanilino)-4-phenylpyrimidine-5-carbonitrile
CID 18516887
2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 59421319
N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133481460
2-(cyclohexylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 3439401
4-[(5-naphthalen-2-yl-4-phenylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 134148336
6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286801

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile (CID 158219239) is 2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile is N#Cc1cnc(NC2CCCCCCC2)nc1-c1ccccc1.
What is the InChIKey of 2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile?
The InChIKey is GDAQETBMPPLRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c20-13-16-14-21-19(22-17-11-7-2-1-3-8-12-17)23-18(16)15-9-5-4-6-10-15/h4-6,9-10,14,17H,1-3,7-8,11-12H2,(H,21,22,23).
What are the key properties of 2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile?
2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile has a molecular weight of 306.41 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)-4-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 158219239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).