3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C15H17ClFN3 — CID 63088370

IUPAC3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(-c2ccc(F)c(Cl)c2)nc(C)c1CCCN
InChIInChI=1S/C15H17ClFN3/c1-9-12(4-3-7-18)10(2)20-15(19-9)11-5-6-14(17)13(16)8-11/h5-6,8H,3-4,7,18H2,1-2H3
InChIKeyFVYIDGGCEJPURL-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.44
Rot. Bonds4

About 3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 63088370) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID63088370
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(-c2ccc(F)c(Cl)c2)nc(C)c1CCCN
InChIInChI=1S/C15H17ClFN3/c1-9-12(4-3-7-18)10(2)20-15(19-9)11-5-6-14(17)13(16)8-11/h5-6,8H,3-4,7,18H2,1-2H3
InChIKeyFVYIDGGCEJPURL-UHFFFAOYSA-N
XLogP3.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine
CID 114205926
[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 55181402
N-[[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 63089028
2-[2-(3-chloro-4-fluorophenyl)-4,6-diethylpyrimidin-5-yl]ethanamine
CID 79220557
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine
CID 28916529
6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 63093946
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706
3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine
CID 65197742
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083653
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65286120
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 63088370) is 3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is Cc1nc(-c2ccc(F)c(Cl)c2)nc(C)c1CCCN.
What is the InChIKey of 3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is FVYIDGGCEJPURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-9-12(4-3-7-18)10(2)20-15(19-9)11-5-6-14(17)13(16)8-11/h5-6,8H,3-4,7,18H2,1-2H3.
What are the key properties of 3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 293.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 63088370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).