2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine

C14H14ClN3 — CID 63353917

IUPAC2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
SMILESNc1cc(C2CC2)nc(Cc2ccccc2Cl)n1
InChIInChI=1S/C14H14ClN3/c15-11-4-2-1-3-10(11)7-14-17-12(9-5-6-9)8-13(16)18-14/h1-4,8-9H,5-7H2,(H2,16,17,18)
InChIKeyJZWLTIFNISBRFW-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.18
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine

2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine (PubChem CID 63353917) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
PubChem CID63353917
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
SMILESNc1cc(C2CC2)nc(Cc2ccccc2Cl)n1
InChIInChI=1S/C14H14ClN3/c15-11-4-2-1-3-10(11)7-14-17-12(9-5-6-9)8-13(16)18-14/h1-4,8-9H,5-7H2,(H2,16,17,18)
InChIKeyJZWLTIFNISBRFW-UHFFFAOYSA-N
XLogP3.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine (CID 63353917) is 2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine is Nc1cc(C2CC2)nc(Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine?
The InChIKey is JZWLTIFNISBRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-11-4-2-1-3-10(11)7-14-17-12(9-5-6-9)8-13(16)18-14/h1-4,8-9H,5-7H2,(H2,16,17,18).
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine?
2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine has a molecular weight of 259.74 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 63353917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).