2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine

C13H21ClN4 — CID 114043533

IUPAC2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NC2CCCC(C)C2C)c1N
InChIInChI=1S/C13H21ClN4/c1-7-5-4-6-10(8(7)2)17-12-11(15)9(3)16-13(14)18-12/h7-8,10H,4-6,15H2,1-3H3,(H,16,17,18)
InChIKeyXMKCQHQHNPDCEH-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.26
Rot. Bonds2

About 2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine

2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine (PubChem CID 114043533) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine
PubChem CID114043533
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NC2CCCC(C)C2C)c1N
InChIInChI=1S/C13H21ClN4/c1-7-5-4-6-10(8(7)2)17-12-11(15)9(3)16-13(14)18-12/h7-8,10H,4-6,15H2,1-3H3,(H,16,17,18)
InChIKeyXMKCQHQHNPDCEH-UHFFFAOYSA-N
XLogP3.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine
CID 114043589
2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 79075440
2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 114044015
3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
CID 102755663
5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80777437
5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 114071933
N-(2,3-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81000906
5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 114043853
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine
CID 104623136
2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
CID 7147197
4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80944187

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine (CID 114043533) is 2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine is Cc1nc(Cl)nc(NC2CCCC(C)C2C)c1N.
What is the InChIKey of 2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine?
The InChIKey is XMKCQHQHNPDCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-7-5-4-6-10(8(7)2)17-12-11(15)9(3)16-13(14)18-12/h7-8,10H,4-6,15H2,1-3H3,(H,16,17,18).
What are the key properties of 2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine?
2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 114043533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).