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

C13H22N4O — CID 113268090

IUPAC6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCOc1cc(N(C)C2CCC(C)CC2)nc(N)n1
InChIInChI=1S/C13H22N4O/c1-9-4-6-10(7-5-9)17(2)11-8-12(18-3)16-13(14)15-11/h8-10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyLJUCMXZOOXNMNR-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.08
Rot. Bonds3

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

6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine (PubChem CID 113268090) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
PubChem CID113268090
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCOc1cc(N(C)C2CCC(C)CC2)nc(N)n1
InChIInChI=1S/C13H22N4O/c1-9-4-6-10(7-5-9)17(2)11-8-12(18-3)16-13(14)15-11/h8-10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyLJUCMXZOOXNMNR-UHFFFAOYSA-N
XLogP2.08
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80799744
2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 140510686
4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80788881
2-N,6-dimethyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112746078
2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80963761
4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80809163
4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80899128
4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80896120
4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine
CID 70499830
4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80761777
2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80896254
6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80927990

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine (CID 113268090) is 6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine is COc1cc(N(C)C2CCC(C)CC2)nc(N)n1.
What is the InChIKey of 6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The InChIKey is LJUCMXZOOXNMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-4-6-10(7-5-9)17(2)11-8-12(18-3)16-13(14)15-11/h8-10H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 113268090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).