3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione

C13H18N4O2 — CID 177129713

IUPAC3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione
SMILESCn1cc(-c2cn(C)c(=O)n(C(C)(C)C)c2=O)cn1
InChIInChI=1S/C13H18N4O2/c1-13(2,3)17-11(18)10(8-15(4)12(17)19)9-6-14-16(5)7-9/h6-8H,1-5H3
InChIKeyGPTVSXKTBQXFMA-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.70
Rot. Bonds1

About 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione

3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione (PubChem CID 177129713) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione
PubChem CID177129713
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione
SMILESCn1cc(-c2cn(C)c(=O)n(C(C)(C)C)c2=O)cn1
InChIInChI=1S/C13H18N4O2/c1-13(2,3)17-11(18)10(8-15(4)12(17)19)9-6-14-16(5)7-9/h6-8H,1-5H3
InChIKeyGPTVSXKTBQXFMA-UHFFFAOYSA-N
XLogP0.70
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopentyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355394
2-tert-butyl-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine
CID 62219674
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 138630499
2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one
CID 165451138
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355148
4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole
CID 144831547
5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355469
5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one
CID 118426614
4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine
CID 105370998
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione (CID 177129713) is 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione is Cn1cc(-c2cn(C)c(=O)n(C(C)(C)C)c2=O)cn1.
What is the InChIKey of 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione?
The InChIKey is GPTVSXKTBQXFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2,3)17-11(18)10(8-15(4)12(17)19)9-6-14-16(5)7-9/h6-8H,1-5H3.
What are the key properties of 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione?
3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione has a molecular weight of 262.31 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 177129713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).