4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine

C15H16Cl2N2O — CID 80975882

IUPAC4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCOc1cc(-c2nc(C(C)C)nc(Cl)c2C)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-8(2)15-18-13(9(3)14(17)19-15)10-5-6-11(16)12(7-10)20-4/h5-8H,1-4H3
InChIKeyFAVOPGCLERLMOM-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.89
Rot. Bonds3

About 4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 80975882) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID80975882
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCOc1cc(-c2nc(C(C)C)nc(Cl)c2C)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-8(2)15-18-13(9(3)14(17)19-15)10-5-6-11(16)12(7-10)20-4/h5-8H,1-4H3
InChIKeyFAVOPGCLERLMOM-UHFFFAOYSA-N
XLogP4.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 10287141
4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
4-(2,4-Dichloro-5-Methoxyphenyl)-6-Methylpyrimidin-2-Amine
CID 52940058
4-Chloro-5-(4-methoxybenzyl)-6-methylpyrimidin-2-amine
CID 919161
4-Chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine
CID 46914444
4-Chloro-6-(2,4-dichloro-5-methoxyphenyl)-2-pyrimidinamine
CID 46914445
5-(4-Chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine
CID 44531181
5-[3-(2-Chlorophenoxy)propyl]-6-ethylpyrimidine-2,4-diamine;hydrochloride
CID 44531876
5-[3-(2-Chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
CID 44531878
4-Chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 24743460
5-Butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 88924813
4-Chloro-6-(4-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 145989061

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine (CID 80975882) is 4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine is COc1cc(-c2nc(C(C)C)nc(Cl)c2C)ccc1Cl.
What is the InChIKey of 4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is FAVOPGCLERLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-8(2)15-18-13(9(3)14(17)19-15)10-5-6-11(16)12(7-10)20-4/h5-8H,1-4H3.
What are the key properties of 4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 311.21 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80975882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).