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

C14H24N4 — CID 80840343

IUPAC4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC(C)CC(C)C2)nc(C)n1
InChIInChI=1S/C14H24N4/c1-9-5-10(2)7-12(6-9)18-14-8-13(15-4)16-11(3)17-14/h8-10,12H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyJVRUDHKGDTVZOW-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.06
Rot. Bonds3

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

4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 80840343) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID80840343
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC(C)CC(C)C2)nc(C)n1
InChIInChI=1S/C14H24N4/c1-9-5-10(2)7-12(6-9)18-14-8-13(15-4)16-11(3)17-14/h8-10,12H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyJVRUDHKGDTVZOW-UHFFFAOYSA-N
XLogP3.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80765698
N4-cyclohexyl-N4,N6-dimethylpyrimidine-4,6-diamine
CID 80761773
N,N-Diisobutyl-2-(3-methyl-butyl)-pyrimidine-4,6-diamine
CID 25130220
4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine
CID 100996947
4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine
CID 74764290
2-methyl-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80829873
2-methyl-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80830250
4-N-(3,5-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine
CID 80840191
4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80840747
4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80840858
4-N-(3,5-dimethylcyclohexyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80840860
N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80846934

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine (CID 80840343) is 4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine is CNc1cc(NC2CC(C)CC(C)C2)nc(C)n1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is JVRUDHKGDTVZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-9-5-10(2)7-12(6-9)18-14-8-13(15-4)16-11(3)17-14/h8-10,12H,5-7H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80840343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).