6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C18H16ClN3O — CID 3233945

IUPAC6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(-c2ccccc2Cl)ncn1
InChIInChI=1S/C18H16ClN3O/c1-23-17-9-5-2-6-13(17)11-20-18-10-16(21-12-22-18)14-7-3-4-8-15(14)19/h2-10,12H,11H2,1H3,(H,20,21,22)
InChIKeyXGWHQWZKOFLFFB-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.42
Rot. Bonds5

About 6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 3233945) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID3233945
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(-c2ccccc2Cl)ncn1
InChIInChI=1S/C18H16ClN3O/c1-23-17-9-5-2-6-13(17)11-20-18-10-16(21-12-22-18)14-7-3-4-8-15(14)19/h2-10,12H,11H2,1H3,(H,20,21,22)
InChIKeyXGWHQWZKOFLFFB-UHFFFAOYSA-N
XLogP4.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6540300
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CID 10172601
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CID 10287141
CID 10287141
CID 10309295
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CID 46861552
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CID 154815704
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CID 10236557
CID 10236557
CID 19595108
CID 19595108
CID 75815438
CID 75815438
CID 1490527
CID 1490527

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 3233945) is 6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1cc(-c2ccccc2Cl)ncn1.
What is the InChIKey of 6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is XGWHQWZKOFLFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-23-17-9-5-2-6-13(17)11-20-18-10-16(21-12-22-18)14-7-3-4-8-15(14)19/h2-10,12H,11H2,1H3,(H,20,21,22).
What are the key properties of 6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 325.80 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3233945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).