1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea

C16H19N5O — CID 90544742

IUPAC1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H19N5O/c22-16(19-13-7-3-1-4-8-13)20-14-11-15(18-12-17-14)21-9-5-2-6-10-21/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,17,18,19,20,22)
InChIKeyXDKDDUWJDYPBAM-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.11
Rot. Bonds3

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

1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea (PubChem CID 90544742) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
PubChem CID90544742
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H19N5O/c22-16(19-13-7-3-1-4-8-13)20-14-11-15(18-12-17-14)21-9-5-2-6-10-21/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,17,18,19,20,22)
InChIKeyXDKDDUWJDYPBAM-UHFFFAOYSA-N
XLogP3.11
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
CID 90545095
1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544753
1-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 90545107
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
1-(4-ethylphenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545509
1-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90545480
1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544779
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511
1-(3,4-difluorophenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545478
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
The IUPAC name of 1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea (CID 90544742) is 1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
The canonical SMILES for 1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea is O=C(Nc1ccccc1)Nc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
The InChIKey is XDKDDUWJDYPBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(19-13-7-3-1-4-8-13)20-14-11-15(18-12-17-14)21-9-5-2-6-10-21/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,17,18,19,20,22).
What are the key properties of 1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea has a molecular weight of 297.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea is sourced from PubChem (CID 90544742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).