N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine

C11H16ClN3O — CID 65029493

IUPACN-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2(CCl)CCCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-16-9-4-7-13-10(14-9)15-11(8-12)5-2-3-6-11/h4,7H,2-3,5-6,8H2,1H3,(H,13,14,15)
InChIKeyJJLVPGGQNVSIBH-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.45
Rot. Bonds4

About N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine

N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine (PubChem CID 65029493) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine
PubChem CID65029493
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2(CCl)CCCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-16-9-4-7-13-10(14-9)15-11(8-12)5-2-3-6-11/h4,7H,2-3,5-6,8H2,1H3,(H,13,14,15)
InChIKeyJJLVPGGQNVSIBH-UHFFFAOYSA-N
XLogP2.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine (CID 65029493) is N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NC2(CCl)CCCC2)n1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine?
The InChIKey is JJLVPGGQNVSIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-16-9-4-7-13-10(14-9)15-11(8-12)5-2-3-6-11/h4,7H,2-3,5-6,8H2,1H3,(H,13,14,15).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine?
N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine has a molecular weight of 241.72 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 65029493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).