N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide

C13H18N6O3 — CID 24827924

IUPACN-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide
SMILESCC(C)Cn1c(=O)c(NC(=O)c2cn[nH]c2)c(N)n(C)c1=O
InChIInChI=1S/C13H18N6O3/c1-7(2)6-19-12(21)9(10(14)18(3)13(19)22)17-11(20)8-4-15-16-5-8/h4-5,7H,6,14H2,1-3H3,(H,15,16)(H,17,20)
InChIKeyXFZAUERQGYKTAC-UHFFFAOYSA-N
MW306.33 g/mol
LogP-0.24
Rot. Bonds4

About N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide

N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide (PubChem CID 24827924) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide
PubChem CID24827924
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC NameN-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide
SMILESCC(C)Cn1c(=O)c(NC(=O)c2cn[nH]c2)c(N)n(C)c1=O
InChIInChI=1S/C13H18N6O3/c1-7(2)6-19-12(21)9(10(14)18(3)13(19)22)17-11(20)8-4-15-16-5-8/h4-5,7H,6,14H2,1-3H3,(H,15,16)(H,17,20)
InChIKeyXFZAUERQGYKTAC-UHFFFAOYSA-N
XLogP-0.24
TPSA127.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide (CID 24827924) is N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide is CC(C)Cn1c(=O)c(NC(=O)c2cn[nH]c2)c(N)n(C)c1=O.
What is the InChIKey of N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is XFZAUERQGYKTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-7(2)6-19-12(21)9(10(14)18(3)13(19)22)17-11(20)8-4-15-16-5-8/h4-5,7H,6,14H2,1-3H3,(H,15,16)(H,17,20).
What are the key properties of N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide?
N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 306.33 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-methyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24827924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).