4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine

C14H23N3O — CID 112637620

IUPAC4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCC2CCC(C)CC2)n1
InChIInChI=1S/C14H23N3O/c1-10-4-6-12(7-5-10)9-15-14-16-11(2)8-13(17-14)18-3/h8,10,12H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyMJQVUTWOVFZMSJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.03
Rot. Bonds4

About 4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine (PubChem CID 112637620) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
PubChem CID112637620
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCC2CCC(C)CC2)n1
InChIInChI=1S/C14H23N3O/c1-10-4-6-12(7-5-10)9-15-14-16-11(2)8-13(17-14)18-3/h8,10,12H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyMJQVUTWOVFZMSJ-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691744
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 112691898
6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
4,6-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 115355062
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
N-(cyclopropylmethyl)-4-ethyl-6-methylpyrimidin-2-amine
CID 131153777
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112635634

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine (CID 112637620) is 4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine is COc1cc(C)nc(NCC2CCC(C)CC2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine?
The InChIKey is MJQVUTWOVFZMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-4-6-12(7-5-10)9-15-14-16-11(2)8-13(17-14)18-3/h8,10,12H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112637620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).