1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

C20H20N6O — CID 126772803

IUPAC1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C20H20N6O/c27-20(24-16-9-11-26(14-16)18-8-4-5-10-21-18)25-17-12-22-19(23-13-17)15-6-2-1-3-7-15/h1-8,10,12-13,16H,9,11,14H2,(H2,24,25,27)
InChIKeyFFDSABYZJXRIGH-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (PubChem CID 126772803) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
PubChem CID126772803
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C20H20N6O/c27-20(24-16-9-11-26(14-16)18-8-4-5-10-21-18)25-17-12-22-19(23-13-17)15-6-2-1-3-7-15/h1-8,10,12-13,16H,9,11,14H2,(H2,24,25,27)
InChIKeyFFDSABYZJXRIGH-UHFFFAOYSA-N
XLogP2.94
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
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CID 99697085
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75506392
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75433407
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
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CID 87007480
1-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[3-(triazol-1-yl)phenyl]urea
CID 124568770
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97335866

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (CID 126772803) is 1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is O=C(Nc1cnc(-c2ccccc2)nc1)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The InChIKey is FFDSABYZJXRIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(24-16-9-11-26(14-16)18-8-4-5-10-21-18)25-17-12-22-19(23-13-17)15-6-2-1-3-7-15/h1-8,10,12-13,16H,9,11,14H2,(H2,24,25,27).
What are the key properties of 1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea has a molecular weight of 360.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 126772803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).