1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea

C18H22N4O2 — CID 75381215

IUPAC1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea
SMILESCC(NC(=O)Nc1cnc(-c2ccccc2)nc1)C1CCOCC1
InChIInChI=1S/C18H22N4O2/c1-13(14-7-9-24-10-8-14)21-18(23)22-16-11-19-17(20-12-16)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3,(H2,21,22,23)
InChIKeyWUKPGIJLUSCEGY-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea

1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea (PubChem CID 75381215) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea
PubChem CID75381215
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea
SMILESCC(NC(=O)Nc1cnc(-c2ccccc2)nc1)C1CCOCC1
InChIInChI=1S/C18H22N4O2/c1-13(14-7-9-24-10-8-14)21-18(23)22-16-11-19-17(20-12-16)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3,(H2,21,22,23)
InChIKeyWUKPGIJLUSCEGY-UHFFFAOYSA-N
XLogP3.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxepan-4-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 136520743
1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea
CID 178134807
N-(1-cyclopentylethyl)-2-phenylpyrimidin-5-amine
CID 62633534
N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine
CID 43786661
3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide
CID 136521775
phenyl N-[1-(oxan-4-yl)ethyl]carbamate
CID 103771775
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
CID 99841324
1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
CID 124884907
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200
1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97058604

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea?
The IUPAC name of 1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea (CID 75381215) is 1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea?
The canonical SMILES for 1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea is CC(NC(=O)Nc1cnc(-c2ccccc2)nc1)C1CCOCC1.
What is the InChIKey of 1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea?
The InChIKey is WUKPGIJLUSCEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(14-7-9-24-10-8-14)21-18(23)22-16-11-19-17(20-12-16)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3,(H2,21,22,23).
What are the key properties of 1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea?
1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea has a molecular weight of 326.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea is sourced from PubChem (CID 75381215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).