N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine

C12H19N3O — CID 133399476

IUPACN-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine
SMILESCOC1CCCC(Nc2cc(C)ncn2)C1
InChIInChI=1S/C12H19N3O/c1-9-6-12(14-8-13-9)15-10-4-3-5-11(7-10)16-2/h6,8,10-11H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyGITLNZSHRLYLEF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds3

About N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine

N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine (PubChem CID 133399476) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine
PubChem CID133399476
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine
SMILESCOC1CCCC(Nc2cc(C)ncn2)C1
InChIInChI=1S/C12H19N3O/c1-9-6-12(14-8-13-9)15-10-4-3-5-11(7-10)16-2/h6,8,10-11H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyGITLNZSHRLYLEF-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine (CID 133399476) is N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine is COC1CCCC(Nc2cc(C)ncn2)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
The InChIKey is GITLNZSHRLYLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-12(14-8-13-9)15-10-4-3-5-11(7-10)16-2/h6,8,10-11H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine?
N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133399476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).