6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine

C13H22N4O — CID 114129528

IUPAC6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine
SMILESCOc1ncnc(NCC2CCCC(C)C2)c1N
InChIInChI=1S/C13H22N4O/c1-9-4-3-5-10(6-9)7-15-12-11(14)13(18-2)17-8-16-12/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyQTTWKKMUNHXIHL-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.31
Rot. Bonds4

About 6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine

6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine (PubChem CID 114129528) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine
PubChem CID114129528
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine
SMILESCOc1ncnc(NCC2CCCC(C)C2)c1N
InChIInChI=1S/C13H22N4O/c1-9-4-3-5-10(6-9)7-15-12-11(14)13(18-2)17-8-16-12/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyQTTWKKMUNHXIHL-UHFFFAOYSA-N
XLogP2.31
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130795
6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130965
4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 103702732
3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 114130548
N-[(3-methylcyclopentyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107414057
4-N-[(2-methylcyclopropyl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 113463651
5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80835454
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
CID 114615244
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148469
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182340

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine (CID 114129528) is 6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine is COc1ncnc(NCC2CCCC(C)C2)c1N.
What is the InChIKey of 6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is QTTWKKMUNHXIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-4-3-5-10(6-9)7-15-12-11(14)13(18-2)17-8-16-12/h8-10H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine?
6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 114129528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).