6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine

C14H15Cl2N3O — CID 80953244

IUPAC6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1ccc(Cl)c(Nc2cc(Cl)nc(C(C)C)n2)c1
InChIInChI=1S/C14H15Cl2N3O/c1-8(2)14-18-12(16)7-13(19-14)17-11-6-9(20-3)4-5-10(11)15/h4-8H,1-3H3,(H,17,18,19)
InChIKeyWUTNVBGPYXIPBS-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.66
Rot. Bonds4

About 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80953244) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80953244
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1ccc(Cl)c(Nc2cc(Cl)nc(C(C)C)n2)c1
InChIInChI=1S/C14H15Cl2N3O/c1-8(2)14-18-12(16)7-13(19-14)17-11-6-9(20-3)4-5-10(11)15/h4-8H,1-3H3,(H,17,18,19)
InChIKeyWUTNVBGPYXIPBS-UHFFFAOYSA-N
XLogP4.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 55079735
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
CID 80935640
6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80947983
6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953300
6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80949167
6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80948781
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80814732
4-N-(2-chloro-5-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80791950
4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791494
4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958702
N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 104780296

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine (CID 80953244) is 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine is COc1ccc(Cl)c(Nc2cc(Cl)nc(C(C)C)n2)c1.
What is the InChIKey of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is WUTNVBGPYXIPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-8(2)14-18-12(16)7-13(19-14)17-11-6-9(20-3)4-5-10(11)15/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 312.20 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80953244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).