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

C18H16ClN3O — CID 3233518

IUPAC2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O/c1-23-16-9-5-2-6-13(16)12-21-17-10-11-20-18(22-17)14-7-3-4-8-15(14)19/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyHBEWCOQBMMYRLQ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.42
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 3233518) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID3233518
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O/c1-23-16-9-5-2-6-13(16)12-21-17-10-11-20-18(22-17)14-7-3-4-8-15(14)19/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyHBEWCOQBMMYRLQ-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 3233518) is 2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1ccnc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is HBEWCOQBMMYRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-23-16-9-5-2-6-13(16)12-21-17-10-11-20-18(22-17)14-7-3-4-8-15(14)19/h2-11H,12H2,1H3,(H,20,21,22).
What are the key properties of 2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
2-(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 2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3233518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).