1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide

C16H23N5O3 — CID 50973274

IUPAC1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H23N5O3/c1-11(2)8-21(10-12-7-17-18(3)9-12)15(23)13-6-14(22)20(5)16(24)19(13)4/h6-7,9,11H,8,10H2,1-5H3
InChIKeyKWUAUBMOLIJVER-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.12
Rot. Bonds5

About 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide

1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 50973274) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
PubChem CID50973274
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H23N5O3/c1-11(2)8-21(10-12-7-17-18(3)9-12)15(23)13-6-14(22)20(5)16(24)19(13)4/h6-7,9,11H,8,10H2,1-5H3
InChIKeyKWUAUBMOLIJVER-UHFFFAOYSA-N
XLogP0.12
TPSA82.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide (CID 50973274) is 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide is CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is KWUAUBMOLIJVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11(2)8-21(10-12-7-17-18(3)9-12)15(23)13-6-14(22)20(5)16(24)19(13)4/h6-7,9,11H,8,10H2,1-5H3.
What are the key properties of 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 50973274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).