4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine

C17H14ClN3O — CID 75359889

IUPAC4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(-c3ccccc3Cl)nc(N)n2)c1
InChIInChI=1S/C17H14ClN3O/c1-22-12-6-4-5-11(9-12)15-10-16(21-17(19)20-15)13-7-2-3-8-14(13)18/h2-10H,1H3,(H2,19,20,21)
InChIKeyDTFFPOSTBXNPIR-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.05
Rot. Bonds3

About 4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine

4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 75359889) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID75359889
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(-c3ccccc3Cl)nc(N)n2)c1
InChIInChI=1S/C17H14ClN3O/c1-22-12-6-4-5-11(9-12)15-10-16(21-17(19)20-15)13-7-2-3-8-14(13)18/h2-10H,1H3,(H2,19,20,21)
InChIKeyDTFFPOSTBXNPIR-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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Related Compounds

4-(2-fluorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75359921
4-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)pyrimidin-2-amine
CID 75359700
4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359612
4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359610
4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 176550125
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole
CID 121415645
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
4-(10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 177378766
4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 4096252
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334
4-(3-chloro-4-methoxyphenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 58626083

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine (CID 75359889) is 4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine is COc1cccc(-c2cc(-c3ccccc3Cl)nc(N)n2)c1.
What is the InChIKey of 4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is DTFFPOSTBXNPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-22-12-6-4-5-11(9-12)15-10-16(21-17(19)20-15)13-7-2-3-8-14(13)18/h2-10H,1H3,(H2,19,20,21).
What are the key properties of 4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine?
4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-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 4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 75359889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).