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

C16H20N6O — CID 137278928

IUPAC2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2cnn(C(C)C)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C16H20N6O/c1-10(2)13-14(12-7-18-22(8-12)11(3)4)19-16(20-15(13)23)21-6-5-17-9-21/h5-11H,1-4H3,(H,19,20,23)
InChIKeySIJQQZZFOSUCQT-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.52
Rot. Bonds4

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

2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 137278928) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID137278928
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2cnn(C(C)C)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C16H20N6O/c1-10(2)13-14(12-7-18-22(8-12)11(3)4)19-16(20-15(13)23)21-6-5-17-9-21/h5-11H,1-4H3,(H,19,20,23)
InChIKeySIJQQZZFOSUCQT-UHFFFAOYSA-N
XLogP2.52
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 137278928) is 2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one is CC(C)c1c(-c2cnn(C(C)C)c2)nc(-n2ccnc2)[nH]c1=O.
What is the InChIKey of 2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is SIJQQZZFOSUCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-10(2)13-14(12-7-18-22(8-12)11(3)4)19-16(20-15(13)23)21-6-5-17-9-21/h5-11H,1-4H3,(H,19,20,23).
What are the key properties of 2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 312.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137278928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).