2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide

C9H13N3O2 — CID 110847830

IUPAC2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-3-4-10-8(13)7-5-11-6(2)12-9(7)14/h5H,3-4H2,1-2H3,(H,10,13)(H,11,12,14)
InChIKeyCVZGPACWQSSRMF-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.22
Rot. Bonds3

About 2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide

2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide (PubChem CID 110847830) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
PubChem CID110847830
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-3-4-10-8(13)7-5-11-6(2)12-9(7)14/h5H,3-4H2,1-2H3,(H,10,13)(H,11,12,14)
InChIKeyCVZGPACWQSSRMF-UHFFFAOYSA-N
XLogP0.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
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
N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 18768451
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
2-Methyl-1,4-dihydropyrimidine-5-carboxamide
CID 123440745
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
2-tert-butyl-N-ethyl-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide
CID 136431930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide (CID 110847830) is 2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide is CCCNC(=O)c1cnc(C)[nH]c1=O.
What is the InChIKey of 2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
The InChIKey is CVZGPACWQSSRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-4-10-8(13)7-5-11-6(2)12-9(7)14/h5H,3-4H2,1-2H3,(H,10,13)(H,11,12,14).
What are the key properties of 2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide?
2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110847830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).