1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea

C15H18N6O — CID 166281005

IUPAC1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
SMILESO=C(Nc1nccc(C2CCC2)n1)Nc1cn[nH]c1C1CC1
InChIInChI=1S/C15H18N6O/c22-15(19-12-8-17-21-13(12)10-4-5-10)20-14-16-7-6-11(18-14)9-2-1-3-9/h6-10H,1-5H2,(H,17,21)(H2,16,18,19,20,22)
InChIKeyAEVADHZGFKVPPF-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.99
Rot. Bonds4

About 1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea

1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea (PubChem CID 166281005) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
PubChem CID166281005
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
SMILESO=C(Nc1nccc(C2CCC2)n1)Nc1cn[nH]c1C1CC1
InChIInChI=1S/C15H18N6O/c22-15(19-12-8-17-21-13(12)10-4-5-10)20-14-16-7-6-11(18-14)9-2-1-3-9/h6-10H,1-5H2,(H,17,21)(H2,16,18,19,20,22)
InChIKeyAEVADHZGFKVPPF-UHFFFAOYSA-N
XLogP2.99
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea (CID 166281005) is 1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea is O=C(Nc1nccc(C2CCC2)n1)Nc1cn[nH]c1C1CC1.
What is the InChIKey of 1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
The InChIKey is AEVADHZGFKVPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c22-15(19-12-8-17-21-13(12)10-4-5-10)20-14-16-7-6-11(18-14)9-2-1-3-9/h6-10H,1-5H2,(H,17,21)(H2,16,18,19,20,22).
What are the key properties of 1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea has a molecular weight of 298.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 166281005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).