N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide

C13H18N6O3 — CID 91772692

IUPACN,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCC(C)n1cnnc1CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N6O3/c1-8(2)19-7-14-16-10(19)6-17(3)12(21)9-5-18(4)13(22)15-11(9)20/h5,7-8H,6H2,1-4H3,(H,15,20,22)
InChIKeyHVRSSRVDMWJMJZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP-0.48
Rot. Bonds4

About N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide

N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 91772692) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide
PubChem CID91772692
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC NameN,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCC(C)n1cnnc1CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N6O3/c1-8(2)19-7-14-16-10(19)6-17(3)12(21)9-5-18(4)13(22)15-11(9)20/h5,7-8H,6H2,1-4H3,(H,15,20,22)
InChIKeyHVRSSRVDMWJMJZ-UHFFFAOYSA-N
XLogP-0.48
TPSA105.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide (CID 91772692) is N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide is CC(C)n1cnnc1CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is HVRSSRVDMWJMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-8(2)19-7-14-16-10(19)6-17(3)12(21)9-5-18(4)13(22)15-11(9)20/h5,7-8H,6H2,1-4H3,(H,15,20,22).
What are the key properties of N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide?
N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 306.33 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2,4-dioxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91772692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).