4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile

C13H18N4 — CID 65413263

IUPAC4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile
SMILESCCC1CCCC(c2ncc(C#N)c(N)n2)C1
InChIInChI=1S/C13H18N4/c1-2-9-4-3-5-10(6-9)13-16-8-11(7-14)12(15)17-13/h8-10H,2-6H2,1H3,(H2,15,16,17)
InChIKeyAVDUUIYJBMUNTI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.61
Rot. Bonds2

About 4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile

4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile (PubChem CID 65413263) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile
PubChem CID65413263
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile
SMILESCCC1CCCC(c2ncc(C#N)c(N)n2)C1
InChIInChI=1S/C13H18N4/c1-2-9-4-3-5-10(6-9)13-16-8-11(7-14)12(15)17-13/h8-10H,2-6H2,1H3,(H2,15,16,17)
InChIKeyAVDUUIYJBMUNTI-UHFFFAOYSA-N
XLogP2.61
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-ethylcyclopentyl)pyrimidin-4-amine
CID 66303455
2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302086
6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66304402
5-(bromomethyl)-4-(difluoromethyl)-2-(3-ethylcyclohexyl)pyrimidine
CID 114205872
2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65405405
[2-(3-ethylcyclohexyl)pyrimidin-4-yl]methanol
CID 65415658
N-ethyl-2-(3-ethylcyclohexyl)pyrimidin-4-amine
CID 65413212
5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile
CID 64749210
2-(3-ethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 65415033
2-(3-ethylcyclohexyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81424540
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770740
4-amino-2-(diethylamino)pyrimidine-5-carbonitrile
CID 2816412

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile (CID 65413263) is 4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile is CCC1CCCC(c2ncc(C#N)c(N)n2)C1.
What is the InChIKey of 4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile?
The InChIKey is AVDUUIYJBMUNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-9-4-3-5-10(6-9)13-16-8-11(7-14)12(15)17-13/h8-10H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile?
4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-ethylcyclohexyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 65413263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).