4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine

C18H16ClN3O2 — CID 75360140

IUPAC4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)cc1OC
InChIInChI=1S/C18H16ClN3O2/c1-23-16-8-5-12(9-17(16)24-2)15-10-14(21-18(20)22-15)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyOPSVHDNVNLIVJG-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.06
Rot. Bonds4

About 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine

4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine (PubChem CID 75360140) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
PubChem CID75360140
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)cc1OC
InChIInChI=1S/C18H16ClN3O2/c1-23-16-8-5-12(9-17(16)24-2)15-10-14(21-18(20)22-15)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyOPSVHDNVNLIVJG-UHFFFAOYSA-N
XLogP4.06
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine (CID 75360140) is 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)cc1OC.
What is the InChIKey of 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is OPSVHDNVNLIVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-23-16-8-5-12(9-17(16)24-2)15-10-14(21-18(20)22-15)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H2,20,21,22).
What are the key properties of 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine?
4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 341.80 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 75360140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).