2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one

C17H22N6O — CID 137278901

IUPAC2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nccn1-c1nc(-c2cnn(C(C)C)c2)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C17H22N6O/c1-10(2)14-15(13-8-19-23(9-13)11(3)4)20-17(21-16(14)24)22-7-6-18-12(22)5/h6-11H,1-5H3,(H,20,21,24)
InChIKeyDEEWMOVINNECNP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.83
Rot. Bonds4

About 2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one

2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 137278901) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID137278901
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nccn1-c1nc(-c2cnn(C(C)C)c2)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C17H22N6O/c1-10(2)14-15(13-8-19-23(9-13)11(3)4)20-17(21-16(14)24)22-7-6-18-12(22)5/h6-11H,1-5H3,(H,20,21,24)
InChIKeyDEEWMOVINNECNP-UHFFFAOYSA-N
XLogP2.83
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 137278901) is 2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one is Cc1nccn1-c1nc(-c2cnn(C(C)C)c2)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is DEEWMOVINNECNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-10(2)14-15(13-8-19-23(9-13)11(3)4)20-17(21-16(14)24)22-7-6-18-12(22)5/h6-11H,1-5H3,(H,20,21,24).
What are the key properties of 2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 326.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137278901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).