5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine

C17H14ClN3O — CID 134142882

IUPAC5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2-c2ccccc2)cc1Cl
InChIInChI=1S/C17H14ClN3O/c1-22-15-8-7-12(9-14(15)18)13-10-20-17(19)21-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21)
InChIKeyLMPRHUFFZGFNHF-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.05
Rot. Bonds3

About 5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine

5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine (PubChem CID 134142882) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine
PubChem CID134142882
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2-c2ccccc2)cc1Cl
InChIInChI=1S/C17H14ClN3O/c1-22-15-8-7-12(9-14(15)18)13-10-20-17(19)21-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21)
InChIKeyLMPRHUFFZGFNHF-UHFFFAOYSA-N
XLogP4.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine (CID 134142882) is 5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine is COc1ccc(-c2cnc(N)nc2-c2ccccc2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine?
The InChIKey is LMPRHUFFZGFNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-22-15-8-7-12(9-14(15)18)13-10-20-17(19)21-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine?
5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine has a molecular weight of 311.77 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 134142882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).