2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide

C10H15N3O2 — CID 110848402

IUPAC2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC(C)C)c(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-6(2)4-12-9(14)8-5-11-7(3)13-10(8)15/h5-6H,4H2,1-3H3,(H,12,14)(H,11,13,15)
InChIKeyQHOBBSTWHYFTGH-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.46
Rot. Bonds3

About 2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110848402) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110848402
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC(C)C)c(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-6(2)4-12-9(14)8-5-11-7(3)13-10(8)15/h5-6H,4H2,1-3H3,(H,12,14)(H,11,13,15)
InChIKeyQHOBBSTWHYFTGH-UHFFFAOYSA-N
XLogP0.46
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2-Tert-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 70787534
5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
5-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844
4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2-[3-[(2-tert-butyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 89492717
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
6-oxo-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-5-carbonyl iodide
CID 137429718
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 110848402) is 2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is QHOBBSTWHYFTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)4-12-9(14)8-5-11-7(3)13-10(8)15/h5-6H,4H2,1-3H3,(H,12,14)(H,11,13,15).
What are the key properties of 2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110848402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).