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

C15H15ClN4O — CID 122264066

IUPAC1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea
SMILESO=C(NCc1cc(C2CC2)ncn1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4O/c16-11-2-1-3-12(6-11)20-15(21)17-8-13-7-14(10-4-5-10)19-9-18-13/h1-3,6-7,9-10H,4-5,8H2,(H2,17,20,21)
InChIKeyKOCSKLSISMAHEL-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.33
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea (PubChem CID 122264066) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea
PubChem CID122264066
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea
SMILESO=C(NCc1cc(C2CC2)ncn1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4O/c16-11-2-1-3-12(6-11)20-15(21)17-8-13-7-14(10-4-5-10)19-9-18-13/h1-3,6-7,9-10H,4-5,8H2,(H2,17,20,21)
InChIKeyKOCSKLSISMAHEL-UHFFFAOYSA-N
XLogP3.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262101
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 122263792
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 72718331
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874593
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
CID 122263855
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-naphthalen-1-yloxyacetamide
CID 122263826
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 110284890
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea (CID 122264066) is 1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea is O=C(NCc1cc(C2CC2)ncn1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea?
The InChIKey is KOCSKLSISMAHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-11-2-1-3-12(6-11)20-15(21)17-8-13-7-14(10-4-5-10)19-9-18-13/h1-3,6-7,9-10H,4-5,8H2,(H2,17,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea has a molecular weight of 302.76 g/mol, XLogP of 3.33, 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-cyclopropylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 122264066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).