1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea

C15H19N7O — CID 71908250

IUPAC1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)NCc1cn2ccc(C)nc2n1
InChIInChI=1S/C15H19N7O/c1-3-7-22-13(4-6-17-22)20-15(23)16-9-12-10-21-8-5-11(2)18-14(21)19-12/h4-6,8,10H,3,7,9H2,1-2H3,(H2,16,20,23)
InChIKeyJIGSMEYAMQQXCY-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.97
Rot. Bonds5

About 1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea

1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea (PubChem CID 71908250) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea
PubChem CID71908250
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)NCc1cn2ccc(C)nc2n1
InChIInChI=1S/C15H19N7O/c1-3-7-22-13(4-6-17-22)20-15(23)16-9-12-10-21-8-5-11(2)18-14(21)19-12/h4-6,8,10H,3,7,9H2,1-2H3,(H2,16,20,23)
InChIKeyJIGSMEYAMQQXCY-UHFFFAOYSA-N
XLogP1.97
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea?
The IUPAC name of 1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea (CID 71908250) is 1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea is CCCn1nccc1NC(=O)NCc1cn2ccc(C)nc2n1.
What is the InChIKey of 1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea?
The InChIKey is JIGSMEYAMQQXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-3-7-22-13(4-6-17-22)20-15(23)16-9-12-10-21-8-5-11(2)18-14(21)19-12/h4-6,8,10H,3,7,9H2,1-2H3,(H2,16,20,23).
What are the key properties of 1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea?
1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea has a molecular weight of 313.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-propylpyrazol-3-yl)urea is sourced from PubChem (CID 71908250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).