2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

C15H17ClFN3O — CID 106819704

IUPAC2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Cl)cc2OC)nc(C)c1F
InChIInChI=1S/C15H17ClFN3O/c1-4-7-18-15-13(17)9(2)19-14(20-15)11-6-5-10(16)8-12(11)21-3/h5-6,8H,4,7H2,1-3H3,(H,18,19,20)
InChIKeySSTKGHCXKAHOCD-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 106819704) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
PubChem CID106819704
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Cl)cc2OC)nc(C)c1F
InChIInChI=1S/C15H17ClFN3O/c1-4-7-18-15-13(17)9(2)19-14(20-15)11-6-5-10(16)8-12(11)21-3/h5-6,8H,4,7H2,1-3H3,(H,18,19,20)
InChIKeySSTKGHCXKAHOCD-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 104818259
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000619
N-[[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 106819838
2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 106819693
2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136980758
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 114488677
2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 114076281
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106820049
3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene
CID 156561283

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (CID 106819704) is 2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(Cl)cc2OC)nc(C)c1F.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is SSTKGHCXKAHOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-4-7-18-15-13(17)9(2)19-14(20-15)11-6-5-10(16)8-12(11)21-3/h5-6,8H,4,7H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 309.77 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106819704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).