1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea

C18H15ClN4O — CID 122262101

IUPAC1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN4O/c19-14-7-4-8-15(9-14)23-18(24)20-11-16-10-17(22-12-21-16)13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,20,23,24)
InChIKeyVGQCXFCGDONZER-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.12
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea

1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea (PubChem CID 122262101) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
PubChem CID122262101
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN4O/c19-14-7-4-8-15(9-14)23-18(24)20-11-16-10-17(22-12-21-16)13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,20,23,24)
InChIKeyVGQCXFCGDONZER-UHFFFAOYSA-N
XLogP4.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea
CID 122264066
1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262121
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 46327430
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740
1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea
CID 131851120
4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
CID 122261913
1-(3-chlorophenyl)-3-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784338
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874593
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea (CID 122262101) is 1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea is O=C(NCc1cc(-c2ccccc2)ncn1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea?
The InChIKey is VGQCXFCGDONZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-7-4-8-15(9-14)23-18(24)20-11-16-10-17(22-12-21-16)13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,20,23,24).
What are the key properties of 1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea has a molecular weight of 338.80 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 122262101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).