6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine

C14H15ClFN3O — CID 63728931

IUPAC6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(OC)c(F)c1
InChIInChI=1S/C14H15ClFN3O/c1-3-4-10-13(15)17-8-18-14(10)19-9-5-6-12(20-2)11(16)7-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyMZCUNWXACBBKBQ-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.97
Rot. Bonds5

About 6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine

6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine (PubChem CID 63728931) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine
PubChem CID63728931
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(OC)c(F)c1
InChIInChI=1S/C14H15ClFN3O/c1-3-4-10-13(15)17-8-18-14(10)19-9-5-6-12(20-2)11(16)7-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyMZCUNWXACBBKBQ-UHFFFAOYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 113452357
4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 114841127
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine
CID 63790853
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80763195
5-chloro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773272
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 107576956
N-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66340603
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine (CID 63728931) is 6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1ccc(OC)c(F)c1.
What is the InChIKey of 6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine?
The InChIKey is MZCUNWXACBBKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-3-4-10-13(15)17-8-18-14(10)19-9-5-6-12(20-2)11(16)7-9/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine has a molecular weight of 295.75 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63728931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).