N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine

C13H20ClN3O — CID 115363600

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC2(CCl)CCCC2)nc(C)n1
InChIInChI=1S/C13H20ClN3O/c1-10-16-11(7-12(17-10)18-2)15-9-13(8-14)5-3-4-6-13/h7H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyNKUHUCACKSHSCI-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.00
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine

N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 115363600) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID115363600
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC2(CCl)CCCC2)nc(C)n1
InChIInChI=1S/C13H20ClN3O/c1-10-16-11(7-12(17-10)18-2)15-9-13(8-14)5-3-4-6-13/h7H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyNKUHUCACKSHSCI-UHFFFAOYSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 114108518
2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162300
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxypyrimidin-4-amine
CID 115363649
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrimidin-4-amine
CID 103969271
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-ethoxypyrimidin-4-amine
CID 113294686
6-methoxy-2-methyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
CID 66326081
6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66327746
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine
CID 106550702
N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
CID 103969220
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 103970489
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 115363600) is N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCC2(CCl)CCCC2)nc(C)n1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is NKUHUCACKSHSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-10-16-11(7-12(17-10)18-2)15-9-13(8-14)5-3-4-6-13/h7H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 115363600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).