2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide

C10H14N4O4 — CID 135911874

IUPAC2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)(C)C)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-5-6(14(17)18)7(15)12-9(11-5)13-8(16)10(2,3)4/h1-4H3,(H2,11,12,13,15,16)
InChIKeyBVOMJDBKVUYQBN-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.97
Rot. Bonds2

About 2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide

2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide (PubChem CID 135911874) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide
PubChem CID135911874
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)(C)C)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-5-6(14(17)18)7(15)12-9(11-5)13-8(16)10(2,3)4/h1-4H3,(H2,11,12,13,15,16)
InChIKeyBVOMJDBKVUYQBN-UHFFFAOYSA-N
XLogP0.97
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide (CID 135911874) is 2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide is Cc1nc(NC(=O)C(C)(C)C)[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide?
The InChIKey is BVOMJDBKVUYQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-5-6(14(17)18)7(15)12-9(11-5)13-8(16)10(2,3)4/h1-4H3,(H2,11,12,13,15,16).
What are the key properties of 2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide?
2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide is sourced from PubChem (CID 135911874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).