1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea

C16H18FN5O — CID 90544753

IUPAC1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)Nc1ccccc1F
InChIInChI=1S/C16H18FN5O/c17-12-6-2-3-7-13(12)20-16(23)21-14-10-15(19-11-18-14)22-8-4-1-5-9-22/h2-3,6-7,10-11H,1,4-5,8-9H2,(H2,18,19,20,21,23)
InChIKeyQWIDRYMCDJLSEU-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea

1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea (PubChem CID 90544753) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
PubChem CID90544753
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)Nc1ccccc1F
InChIInChI=1S/C16H18FN5O/c17-12-6-2-3-7-13(12)20-16(23)21-14-10-15(19-11-18-14)22-8-4-1-5-9-22/h2-3,6-7,10-11H,1,4-5,8-9H2,(H2,18,19,20,21,23)
InChIKeyQWIDRYMCDJLSEU-UHFFFAOYSA-N
XLogP3.25
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544779
1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
CID 90545095
(3S)-1-[6-(2-fluoroanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975918
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 24651164
1-(3,4-difluorophenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545478
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea
CID 701189
2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544631
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
1-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 90545107

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea (CID 90544753) is 1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea is O=C(Nc1cc(N2CCCCC2)ncn1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
The InChIKey is QWIDRYMCDJLSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-12-6-2-3-7-13(12)20-16(23)21-14-10-15(19-11-18-14)22-8-4-1-5-9-22/h2-3,6-7,10-11H,1,4-5,8-9H2,(H2,18,19,20,21,23).
What are the key properties of 1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea has a molecular weight of 315.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea is sourced from PubChem (CID 90544753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).