1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea

C18H20N4O2 — CID 97224040

IUPAC1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H]1C=CCCC1
InChIInChI=1S/C18H20N4O2/c1-13-12-15(24-18-19-10-5-11-20-18)8-9-16(13)22-17(23)21-14-6-3-2-4-7-14/h3,5-6,8-12,14H,2,4,7H2,1H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyQRPGAAIEJXOPSV-AWEZNQCLSA-N
MW324.38 g/mol
LogP3.81
Rot. Bonds4

About 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea

1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea (PubChem CID 97224040) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea
PubChem CID97224040
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H]1C=CCCC1
InChIInChI=1S/C18H20N4O2/c1-13-12-15(24-18-19-10-5-11-20-18)8-9-16(13)22-17(23)21-14-6-3-2-4-7-14/h3,5-6,8-12,14H,2,4,7H2,1H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyQRPGAAIEJXOPSV-AWEZNQCLSA-N
XLogP3.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
3-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 119753519
1-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 119753507
4-[(2-methyl-4-pyrimidin-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 122078035
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 119753531
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
CID 119753515
3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 60619705
1-cyclohex-2-en-1-yl-3-(3-fluoro-4-pyridinyl)urea
CID 75506417
2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
CID 48667099
N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60589995
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide
CID 71934170

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea?
The IUPAC name of 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea (CID 97224040) is 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea?
The canonical SMILES for 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea is Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H]1C=CCCC1.
What is the InChIKey of 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea?
The InChIKey is QRPGAAIEJXOPSV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-12-15(24-18-19-10-5-11-20-18)8-9-16(13)22-17(23)21-14-6-3-2-4-7-14/h3,5-6,8-12,14H,2,4,7H2,1H3,(H2,21,22,23)/t14-/m0/s1.
What are the key properties of 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea?
1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea has a molecular weight of 324.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea is sourced from PubChem (CID 97224040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).