1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea

C18H22N4O2 — CID 111486885

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
SMILESCC1(CO)CCCC1NC(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H22N4O2/c1-18(12-23)9-5-8-15(18)22-17(24)21-14-10-19-16(20-11-14)13-6-3-2-4-7-13/h2-4,6-7,10-11,15,23H,5,8-9,12H2,1H3,(H2,21,22,24)
InChIKeyXGJXDHWUMANYLU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea (PubChem CID 111486885) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
PubChem CID111486885
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
SMILESCC1(CO)CCCC1NC(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H22N4O2/c1-18(12-23)9-5-8-15(18)22-17(24)21-14-10-19-16(20-11-14)13-6-3-2-4-7-13/h2-4,6-7,10-11,15,23H,5,8-9,12H2,1H3,(H2,21,22,24)
InChIKeyXGJXDHWUMANYLU-UHFFFAOYSA-N
XLogP2.82
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111473384
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111504918
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111472755
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111474343
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299
1-(oxepan-4-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 136520743
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 111473573
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea (CID 111486885) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea is CC1(CO)CCCC1NC(=O)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea?
The InChIKey is XGJXDHWUMANYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(12-23)9-5-8-15(18)22-17(24)21-14-10-19-16(20-11-14)13-6-3-2-4-7-13/h2-4,6-7,10-11,15,23H,5,8-9,12H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea has a molecular weight of 326.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea is sourced from PubChem (CID 111486885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).