6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine

C13H22N4 — CID 78969897

IUPAC6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCC2CCC(C)CC2)nc(N)n1
InChIInChI=1S/C13H22N4/c1-9-3-5-11(6-4-9)8-15-12-7-10(2)16-13(14)17-12/h7,9,11H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyOGWWJGUWTVZRGI-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.61
Rot. Bonds3

About 6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine

6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine (PubChem CID 78969897) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
PubChem CID78969897
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCC2CCC(C)CC2)nc(N)n1
InChIInChI=1S/C13H22N4/c1-9-3-5-11(6-4-9)8-15-12-7-10(2)16-13(14)17-12/h7,9,11H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyOGWWJGUWTVZRGI-UHFFFAOYSA-N
XLogP2.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768
6-hydrazinyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 107416016
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
CID 90909451
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78954732
6-methyl-4-N-[(4-methylcyclohexyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327663
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine (CID 78969897) is 6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine is Cc1cc(NCC2CCC(C)CC2)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is OGWWJGUWTVZRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-3-5-11(6-4-9)8-15-12-7-10(2)16-13(14)17-12/h7,9,11H,3-6,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 78969897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).