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

C15H20N6O — CID 166280851

IUPAC1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
SMILESCC(C)(C)c1ccnc(NC(=O)Nc2cn[nH]c2C2CC2)n1
InChIInChI=1S/C15H20N6O/c1-15(2,3)11-6-7-16-13(19-11)20-14(22)18-10-8-17-21-12(10)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,17,21)(H2,16,18,19,20,22)
InChIKeyMRDMPDUIVISWTB-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.02
Rot. Bonds3

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

1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea (PubChem CID 166280851) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
PubChem CID166280851
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
SMILESCC(C)(C)c1ccnc(NC(=O)Nc2cn[nH]c2C2CC2)n1
InChIInChI=1S/C15H20N6O/c1-15(2,3)11-6-7-16-13(19-11)20-14(22)18-10-8-17-21-12(10)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,17,21)(H2,16,18,19,20,22)
InChIKeyMRDMPDUIVISWTB-UHFFFAOYSA-N
XLogP3.02
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea (CID 166280851) is 1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea is CC(C)(C)c1ccnc(NC(=O)Nc2cn[nH]c2C2CC2)n1.
What is the InChIKey of 1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
The InChIKey is MRDMPDUIVISWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-15(2,3)11-6-7-16-13(19-11)20-14(22)18-10-8-17-21-12(10)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,17,21)(H2,16,18,19,20,22).
What are the key properties of 1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea has a molecular weight of 300.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 166280851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).