2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile

C12H17N5 — CID 107552420

IUPAC2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCCCC2N)n1
InChIInChI=1S/C12H17N5/c1-8-6-9(7-13)16-12(15-8)17-11-5-3-2-4-10(11)14/h6,10-11H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyMFXGINLYFPWQKV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.34
Rot. Bonds2

About 2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile

2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107552420) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107552420
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCCCC2N)n1
InChIInChI=1S/C12H17N5/c1-8-6-9(7-13)16-12(15-8)17-11-5-3-2-4-10(11)14/h6,10-11H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyMFXGINLYFPWQKV-UHFFFAOYSA-N
XLogP1.34
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552012
trans-(1R,2R)-2-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1,2-diamine
CID 97162819
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 93453724
2-[(2-aminocyclopentyl)amino]pyrimidine-4-carbonitrile
CID 107552495
4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051795
2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545212
6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
CID 107545432
1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine
CID 115355322
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308
trans-(1S,2S)-2-N-(2-chloro-6-methylpyrimidin-4-yl)cyclohexane-1,2-diamine
CID 97162846
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545039
6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile
CID 120917031

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107552420) is 2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC2CCCCC2N)n1.
What is the InChIKey of 2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is MFXGINLYFPWQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-6-9(7-13)16-12(15-8)17-11-5-3-2-4-10(11)14/h6,10-11H,2-5,14H2,1H3,(H,15,16,17).
What are the key properties of 2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107552420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).