1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea

C17H20N4O — CID 122264075

IUPAC1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NCc1cc(C2CC2)ncn1
InChIInChI=1S/C17H20N4O/c1-2-12-5-3-4-6-15(12)21-17(22)18-10-14-9-16(13-7-8-13)20-11-19-14/h3-6,9,11,13H,2,7-8,10H2,1H3,(H2,18,21,22)
InChIKeyCOVLVIGWJXWBMK-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.24
Rot. Bonds5

About 1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea

1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea (PubChem CID 122264075) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea
PubChem CID122264075
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NCc1cc(C2CC2)ncn1
InChIInChI=1S/C17H20N4O/c1-2-12-5-3-4-6-15(12)21-17(22)18-10-14-9-16(13-7-8-13)20-11-19-14/h3-6,9,11,13H,2,7-8,10H2,1H3,(H2,18,21,22)
InChIKeyCOVLVIGWJXWBMK-UHFFFAOYSA-N
XLogP3.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 122263851
1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262121
4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
CID 122263921
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605
1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 50830146
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122263898
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 122263899
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-cyclopropylpyrimidin-4-yl)methyl]acetamide
CID 122263862
1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea
CID 25236910
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122263906

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea?
The IUPAC name of 1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea (CID 122264075) is 1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)NCc1cc(C2CC2)ncn1.
What is the InChIKey of 1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea?
The InChIKey is COVLVIGWJXWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-12-5-3-4-6-15(12)21-17(22)18-10-14-9-16(13-7-8-13)20-11-19-14/h3-6,9,11,13H,2,7-8,10H2,1H3,(H2,18,21,22).
What are the key properties of 1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea?
1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea has a molecular weight of 296.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea is sourced from PubChem (CID 122264075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).