1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea

C18H22N4O3 — CID 87044694

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
SMILESO=C(NCCCOCC1CC1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H22N4O3/c23-17(19-11-2-12-24-13-14-3-4-14)22-15-5-7-16(8-6-15)25-18-20-9-1-10-21-18/h1,5-10,14H,2-4,11-13H2,(H2,19,22,23)
InChIKeyNJYAMQJALVNLPG-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.21
Rot. Bonds9

About 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea

1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea (PubChem CID 87044694) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
PubChem CID87044694
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
SMILESO=C(NCCCOCC1CC1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H22N4O3/c23-17(19-11-2-12-24-13-14-3-4-14)22-15-5-7-16(8-6-15)25-18-20-9-1-10-21-18/h1,5-10,14H,2-4,11-13H2,(H2,19,22,23)
InChIKeyNJYAMQJALVNLPG-UHFFFAOYSA-N
XLogP3.21
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)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-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 86870027
1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea
CID 17466807
1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea
CID 47032630
1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 47133545
N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide
CID 71940361
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
CID 71992090
1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
CID 166219931
2-[[[3-(cyclopropylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]-N,N-dimethylacetamide
CID 111863121
2-[3-(cyclopropylmethoxy)propylamino]-N-phenylacetamide
CID 103603851
3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide
CID 55834610
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 18101613

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea (CID 87044694) is 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea is O=C(NCCCOCC1CC1)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea?
The InChIKey is NJYAMQJALVNLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(19-11-2-12-24-13-14-3-4-14)22-15-5-7-16(8-6-15)25-18-20-9-1-10-21-18/h1,5-10,14H,2-4,11-13H2,(H2,19,22,23).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea?
1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea has a molecular weight of 342.40 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea is sourced from PubChem (CID 87044694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).