5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one

C16H19N5OS — CID 138597068

IUPAC5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2cnn(C(C)C)c2)nc(-c2cncs2)[nH]c1=O
InChIInChI=1S/C16H19N5OS/c1-9(2)13-14(11-5-18-21(7-11)10(3)4)19-15(20-16(13)22)12-6-17-8-23-12/h5-10H,1-4H3,(H,19,20,22)
InChIKeyQIGSUCHQKAPCNX-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.46
Rot. Bonds4

About 5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one

5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one (PubChem CID 138597068) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one
PubChem CID138597068
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2cnn(C(C)C)c2)nc(-c2cncs2)[nH]c1=O
InChIInChI=1S/C16H19N5OS/c1-9(2)13-14(11-5-18-21(7-11)10(3)4)19-15(20-16(13)22)12-6-17-8-23-12/h5-10H,1-4H3,(H,19,20,22)
InChIKeyQIGSUCHQKAPCNX-UHFFFAOYSA-N
XLogP3.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one (CID 138597068) is 5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one is CC(C)c1c(-c2cnn(C(C)C)c2)nc(-c2cncs2)[nH]c1=O.
What is the InChIKey of 5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
The InChIKey is QIGSUCHQKAPCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-9(2)13-14(11-5-18-21(7-11)10(3)4)19-15(20-16(13)22)12-6-17-8-23-12/h5-10H,1-4H3,(H,19,20,22).
What are the key properties of 5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one has a molecular weight of 329.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(1-propan-2-ylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 138597068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).