1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea

C15H20N6O — CID 138027965

IUPAC1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea
SMILESCCc1ncc(NC(=O)NCc2cc(C3CC3)n(C)n2)cn1
InChIInChI=1S/C15H20N6O/c1-3-14-16-8-12(9-17-14)19-15(22)18-7-11-6-13(10-4-5-10)21(2)20-11/h6,8-10H,3-5,7H2,1-2H3,(H2,18,19,22)
InChIKeyKMLMWEPXCMZISX-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.97
Rot. Bonds5

About 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea

1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea (PubChem CID 138027965) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea
PubChem CID138027965
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea
SMILESCCc1ncc(NC(=O)NCc2cc(C3CC3)n(C)n2)cn1
InChIInChI=1S/C15H20N6O/c1-3-14-16-8-12(9-17-14)19-15(22)18-7-11-6-13(10-4-5-10)21(2)20-11/h6,8-10H,3-5,7H2,1-2H3,(H2,18,19,22)
InChIKeyKMLMWEPXCMZISX-UHFFFAOYSA-N
XLogP1.97
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea?
The IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea (CID 138027965) is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea is CCc1ncc(NC(=O)NCc2cc(C3CC3)n(C)n2)cn1.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea?
The InChIKey is KMLMWEPXCMZISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-14-16-8-12(9-17-14)19-15(22)18-7-11-6-13(10-4-5-10)21(2)20-11/h6,8-10H,3-5,7H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea?
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea has a molecular weight of 300.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea is sourced from PubChem (CID 138027965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).