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

C14H15ClFN3O — CID 80953300

IUPAC6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cc(F)ccc1Nc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H15ClFN3O/c1-8(2)14-18-12(15)7-13(19-14)17-10-5-4-9(16)6-11(10)20-3/h4-8H,1-3H3,(H,17,18,19)
InChIKeyAZVARQLZEWYMQJ-UHFFFAOYSA-N
MW295.75 g/mol
LogP4.14
Rot. Bonds4

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

6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80953300) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80953300
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cc(F)ccc1Nc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H15ClFN3O/c1-8(2)14-18-12(15)7-13(19-14)17-10-5-4-9(16)6-11(10)20-3/h4-8H,1-3H3,(H,17,18,19)
InChIKeyAZVARQLZEWYMQJ-UHFFFAOYSA-N
XLogP4.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953244
6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80947983
6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80948781
6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80949167
N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80904650
6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951424
N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 104780296
4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
CID 116811182
4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954383
N-(4-fluoro-2-methoxyphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106566444
2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 79073354
N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine (CID 80953300) is 6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine is COc1cc(F)ccc1Nc1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is AZVARQLZEWYMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-8(2)14-18-12(15)7-13(19-14)17-10-5-4-9(16)6-11(10)20-3/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 295.75 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80953300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).