1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea

C20H20N4O — CID 91813352

IUPAC1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea
SMILESO=C(NCCc1cncnc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N4O/c25-20(23-12-11-16-13-21-15-22-14-16)24-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13-15,19H,11-12H2,(H2,23,24,25)
InChIKeyDDHITVSYPANKMD-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.11
Rot. Bonds6

About 1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea

1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea (PubChem CID 91813352) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea
PubChem CID91813352
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea
SMILESO=C(NCCc1cncnc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N4O/c25-20(23-12-11-16-13-21-15-22-14-16)24-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13-15,19H,11-12H2,(H2,23,24,25)
InChIKeyDDHITVSYPANKMD-UHFFFAOYSA-N
XLogP3.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
CID 71798567
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 95318328
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95312794
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea
CID 94816108
1-benzhydryl-3-octadecylurea
CID 142646590
1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
CID 133230842

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea?
The IUPAC name of 1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea (CID 91813352) is 1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea is O=C(NCCc1cncnc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea?
The InChIKey is DDHITVSYPANKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(23-12-11-16-13-21-15-22-14-16)24-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13-15,19H,11-12H2,(H2,23,24,25).
What are the key properties of 1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea?
1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea has a molecular weight of 332.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea is sourced from PubChem (CID 91813352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).