N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

C11H17N3O2 — CID 110855764

IUPACN-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-4-5-6-14(3)11(16)9-7-12-8(2)13-10(9)15/h7H,4-6H2,1-3H3,(H,12,13,15)
InChIKeyWMYMBBBABUBMGU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.95
Rot. Bonds4

About N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110855764) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110855764
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-4-5-6-14(3)11(16)9-7-12-8(2)13-10(9)15/h7H,4-6H2,1-3H3,(H,12,13,15)
InChIKeyWMYMBBBABUBMGU-UHFFFAOYSA-N
XLogP0.95
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
CID 137297951
2-cyclopropyl-N-isopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine-5-carboxamide
CID 74232881
3-Carbamoyl-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine
CID 20438499
4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734
2,3-Dimethyl-5-[[methyl(propyl)amino]methyl]pyrimidin-4-one
CID 59881373
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488
1-Ethyl-6-oxopyrimidine-5-carboxamide
CID 155723614
2,2-dimethyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]propanamide
CID 157500872

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110855764) is N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(C)[nH]c1=O.
What is the InChIKey of N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is WMYMBBBABUBMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-5-6-14(3)11(16)9-7-12-8(2)13-10(9)15/h7H,4-6H2,1-3H3,(H,12,13,15).
What are the key properties of N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110855764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).