4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine

C14H23N3O — CID 80877303

IUPAC4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(OCC2CCCC2)n1
InChIInChI=1S/C14H23N3O/c1-3-8-15-14-16-11(2)9-13(17-14)18-10-12-6-4-5-7-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyBOFSQIYWQKSDIZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.18
Rot. Bonds6

About 4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine

4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 80877303) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
PubChem CID80877303
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(OCC2CCCC2)n1
InChIInChI=1S/C14H23N3O/c1-3-8-15-14-16-11(2)9-13(17-14)18-10-12-6-4-5-7-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyBOFSQIYWQKSDIZ-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80879785
4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80872217
4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine
CID 80868869
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80790337
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115975050
4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine
CID 102608825
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine (CID 80877303) is 4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(OCC2CCCC2)n1.
What is the InChIKey of 4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is BOFSQIYWQKSDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-8-15-14-16-11(2)9-13(17-14)18-10-12-6-4-5-7-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine?
4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80877303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).