1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea

C25H29N5O3 — CID 52909829

IUPAC1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1
InChIInChI=1S/C25H29N5O3/c1-19-6-8-21(9-7-19)23(18-29-12-14-33-15-13-29)28-24(31)27-22-5-2-4-20(16-22)17-30-11-3-10-26-25(30)32/h2-11,16,23H,12-15,17-18H2,1H3,(H2,27,28,31)/t23-/m0/s1
InChIKeyIIRKDCHIULICBV-QHCPKHFHSA-N
MW447.54 g/mol
LogP2.80
Rot. Bonds7

About 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea

1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea (PubChem CID 52909829) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
PubChem CID52909829
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1
InChIInChI=1S/C25H29N5O3/c1-19-6-8-21(9-7-19)23(18-29-12-14-33-15-13-29)28-24(31)27-22-5-2-4-20(16-22)17-30-11-3-10-26-25(30)32/h2-11,16,23H,12-15,17-18H2,1H3,(H2,27,28,31)/t23-/m0/s1
InChIKeyIIRKDCHIULICBV-QHCPKHFHSA-N
XLogP2.80
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea with MolForge

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Related Compounds

tert-butyl (2S)-3-methyl-2-[[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]carbamoylamino]butanoate
CID 71919178
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 167757482
1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024670
methyl (2S,3S)-2-methyl-3-[[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]carbamoylamino]-3-phenylpropanoate
CID 96533755
1-[(2R)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 95150746
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 94013067
(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 94153158
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 47050365
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 51118978
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144717
(E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144809
(E)-3-(3-methylphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144807

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea (CID 52909829) is 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea is Cc1ccc([C@H](CN2CCOCC2)NC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
The InChIKey is IIRKDCHIULICBV-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-19-6-8-21(9-7-19)23(18-29-12-14-33-15-13-29)28-24(31)27-22-5-2-4-20(16-22)17-30-11-3-10-26-25(30)32/h2-11,16,23H,12-15,17-18H2,1H3,(H2,27,28,31)/t23-/m0/s1.
What are the key properties of 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea has a molecular weight of 447.54 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 52909829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).