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

C14H15N5OS — CID 138596933

IUPAC4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2ccnn2C)nc(-c2cncs2)[nH]c1=O
InChIInChI=1S/C14H15N5OS/c1-8(2)11-12(9-4-5-16-19(9)3)17-13(18-14(11)20)10-6-15-7-21-10/h4-8H,1-3H3,(H,17,18,20)
InChIKeyNBQADTANRFXSLV-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.42
Rot. Bonds3

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

4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one (PubChem CID 138596933) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one
PubChem CID138596933
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1c(-c2ccnn2C)nc(-c2cncs2)[nH]c1=O
InChIInChI=1S/C14H15N5OS/c1-8(2)11-12(9-4-5-16-19(9)3)17-13(18-14(11)20)10-6-15-7-21-10/h4-8H,1-3H3,(H,17,18,20)
InChIKeyNBQADTANRFXSLV-UHFFFAOYSA-N
XLogP2.42
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one (CID 138596933) is 4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one is CC(C)c1c(-c2ccnn2C)nc(-c2cncs2)[nH]c1=O.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
The InChIKey is NBQADTANRFXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8(2)11-12(9-4-5-16-19(9)3)17-13(18-14(11)20)10-6-15-7-21-10/h4-8H,1-3H3,(H,17,18,20).
What are the key properties of 4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one?
4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one has a molecular weight of 301.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-5-propan-2-yl-2-(1,3-thiazol-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 138596933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).