1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea

C17H19FN4O2 — CID 119099509

IUPAC1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCCn1cnc(C2CC2)cc1=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2/c18-14-5-1-12(2-6-14)10-20-17(24)19-7-8-22-11-21-15(9-16(22)23)13-3-4-13/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H2,19,20,24)
InChIKeyYHNIPSVKZMIYCW-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.76
Rot. Bonds6

About 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea

1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 119099509) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID119099509
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCCn1cnc(C2CC2)cc1=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2/c18-14-5-1-12(2-6-14)10-20-17(24)19-7-8-22-11-21-15(9-16(22)23)13-3-4-13/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H2,19,20,24)
InChIKeyYHNIPSVKZMIYCW-UHFFFAOYSA-N
XLogP1.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-fluorophenyl)urea
CID 121120173
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 121120599
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119099491
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 119099474
3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121119964
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 119099471
6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one
CID 139023458
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 121120319
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121120589
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121120574

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea (CID 119099509) is 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea is O=C(NCCn1cnc(C2CC2)cc1=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is YHNIPSVKZMIYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-5-1-12(2-6-14)10-20-17(24)19-7-8-22-11-21-15(9-16(22)23)13-3-4-13/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H2,19,20,24).
What are the key properties of 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 330.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 119099509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).