1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine

C18H23FN4 — CID 117212035

IUPAC1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine
SMILESCC(C)c1nc(-c2ccccc2F)ncc1N1CCC(N)CC1
InChIInChI=1S/C18H23FN4/c1-12(2)17-16(23-9-7-13(20)8-10-23)11-21-18(22-17)14-5-3-4-6-15(14)19/h3-6,11-13H,7-10,20H2,1-2H3
InChIKeySHUBOOYIVOCKBG-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.33
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine

1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine (PubChem CID 117212035) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine
PubChem CID117212035
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine
SMILESCC(C)c1nc(-c2ccccc2F)ncc1N1CCC(N)CC1
InChIInChI=1S/C18H23FN4/c1-12(2)17-16(23-9-7-13(20)8-10-23)11-21-18(22-17)14-5-3-4-6-15(14)19/h3-6,11-13H,7-10,20H2,1-2H3
InChIKeySHUBOOYIVOCKBG-UHFFFAOYSA-N
XLogP3.33
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-aminopiperidin-1-yl)-4-methylpyrimidin-2-yl]phenol
CID 136934608
2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol
CID 136934519
1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine
CID 117212294
4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine
CID 117211492
2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol
CID 136934488
2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-amine
CID 83861841
1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine
CID 56768031
1-(4-cyclopentyl-2-propan-2-ylpyrimidin-5-yl)piperidin-4-amine
CID 117211579
1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine
CID 166360940
2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-amine
CID 84691900
1-(2,6-difluorophenyl)piperidin-4-amine
CID 28974632
[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 56768235

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine?
The IUPAC name of 1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine (CID 117212035) is 1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine is CC(C)c1nc(-c2ccccc2F)ncc1N1CCC(N)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine?
The InChIKey is SHUBOOYIVOCKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-12(2)17-16(23-9-7-13(20)8-10-23)11-21-18(22-17)14-5-3-4-6-15(14)19/h3-6,11-13H,7-10,20H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine?
1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine has a molecular weight of 314.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine is sourced from PubChem (CID 117212035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).