6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine

C14H15ClFN3O — CID 115504768

IUPAC6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cc(F)cc(Cl)c2)c1OC
InChIInChI=1S/C14H15ClFN3O/c1-3-4-17-14-13(20-2)12(18-8-19-14)9-5-10(15)7-11(16)6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyPZVXXVINZZSCSF-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.77
Rot. Bonds5

About 6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine

6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine (PubChem CID 115504768) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine
PubChem CID115504768
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cc(F)cc(Cl)c2)c1OC
InChIInChI=1S/C14H15ClFN3O/c1-3-4-17-14-13(20-2)12(18-8-19-14)9-5-10(15)7-11(16)6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyPZVXXVINZZSCSF-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 113324856
6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 79691423
4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine
CID 114879214
5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341833
6-(3-fluoro-5-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
CID 79691420
6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
CID 113324874
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 107371208
6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine
CID 106463748
6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine
CID 114879384
5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146882
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 104568305
5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 113464276

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine (CID 115504768) is 6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine is CCCNc1ncnc(-c2cc(F)cc(Cl)c2)c1OC.
What is the InChIKey of 6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine?
The InChIKey is PZVXXVINZZSCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-3-4-17-14-13(20-2)12(18-8-19-14)9-5-10(15)7-11(16)6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine?
6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine has a molecular weight of 295.75 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115504768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).