1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea

C22H24N6O2 — CID 47050365

IUPAC1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(N2CCCC2)c1)Nc1cccc(Cn2cccnc2=O)c1
InChIInChI=1S/C22H24N6O2/c29-21(25-15-17-7-9-23-20(14-17)27-10-1-2-11-27)26-19-6-3-5-18(13-19)16-28-12-4-8-24-22(28)30/h3-9,12-14H,1-2,10-11,15-16H2,(H2,25,26,29)
InChIKeyHLUAINPNBLNDMT-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.61
Rot. Bonds6

About 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea

1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (PubChem CID 47050365) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
PubChem CID47050365
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(N2CCCC2)c1)Nc1cccc(Cn2cccnc2=O)c1
InChIInChI=1S/C22H24N6O2/c29-21(25-15-17-7-9-23-20(14-17)27-10-1-2-11-27)26-19-6-3-5-18(13-19)16-28-12-4-8-24-22(28)30/h3-9,12-14H,1-2,10-11,15-16H2,(H2,25,26,29)
InChIKeyHLUAINPNBLNDMT-UHFFFAOYSA-N
XLogP2.61
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 47050392
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 51118978
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 55747958
1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86837888
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
1-(5-methyl-1H-pyrazol-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 154800962
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 167757482
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 47050389
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 24651164
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 87003335

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (CID 47050365) is 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is O=C(NCc1ccnc(N2CCCC2)c1)Nc1cccc(Cn2cccnc2=O)c1.
What is the InChIKey of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is HLUAINPNBLNDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c29-21(25-15-17-7-9-23-20(14-17)27-10-1-2-11-27)26-19-6-3-5-18(13-19)16-28-12-4-8-24-22(28)30/h3-9,12-14H,1-2,10-11,15-16H2,(H2,25,26,29).
What are the key properties of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 404.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 47050365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).