6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine

C15H17ClFN3 — CID 63730152

IUPAC6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)c1cccc(F)c1
InChIInChI=1S/C15H17ClFN3/c1-3-5-13-14(16)18-9-19-15(13)20-10(2)11-6-4-7-12(17)8-11/h4,6-10H,3,5H2,1-2H3,(H,18,19,20)
InChIKeyXMQHKCDPXSENEE-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.39
Rot. Bonds5

About 6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine

6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine (PubChem CID 63730152) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
PubChem CID63730152
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)c1cccc(F)c1
InChIInChI=1S/C15H17ClFN3/c1-3-5-13-14(16)18-9-19-15(13)20-10(2)11-6-4-7-12(17)8-11/h4,6-10H,3,5H2,1-2H3,(H,18,19,20)
InChIKeyXMQHKCDPXSENEE-UHFFFAOYSA-N
XLogP4.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 106193555
6-chloro-N-[1-(2-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
CID 63729819
4-N-[1-(3-fluorophenyl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783043
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 15916585
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 63729127
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524
6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine
CID 63790853
N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342562
6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 63730032
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761800

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine (CID 63730152) is 6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NC(C)c1cccc(F)c1.
What is the InChIKey of 6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine?
The InChIKey is XMQHKCDPXSENEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-3-5-13-14(16)18-9-19-15(13)20-10(2)11-6-4-7-12(17)8-11/h4,6-10H,3,5H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine?
6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63730152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).