2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine

C16H18FN3 — CID 80952552

IUPAC2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2F)nc(C2CC2)n1
InChIInChI=1S/C16H18FN3/c1-2-9-18-15-10-14(12-5-3-4-6-13(12)17)19-16(20-15)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,18,19,20)
InChIKeyQERJURBWDDGWMJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.98
Rot. Bonds5

About 2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine

2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine (PubChem CID 80952552) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
PubChem CID80952552
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2F)nc(C2CC2)n1
InChIInChI=1S/C16H18FN3/c1-2-9-18-15-10-14(12-5-3-4-6-13(12)17)19-16(20-15)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,18,19,20)
InChIKeyQERJURBWDDGWMJ-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 80948713
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 80949383
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352
2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 80952411
2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol
CID 174614512
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80956080

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine (CID 80952552) is 2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccccc2F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine?
The InChIKey is QERJURBWDDGWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-2-9-18-15-10-14(12-5-3-4-6-13(12)17)19-16(20-15)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine has a molecular weight of 271.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80952552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).