N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane

C24H40N6O4 — CID 143940630

IUPACN-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
SMILESCC.CCCCNC(=O)Cc1cnc(C)[nH]c1=O.CCN(CC)C(=O)Cc1cnc(C)[nH]c1=O
InChIInChI=1S/2C11H17N3O2.C2H6/c1-4-14(5-2)10(15)6-9-7-12-8(3)13-11(9)16;1-3-4-5-12-10(15)6-9-7-13-8(2)14-11(9)16;1-2/h7H,4-6H2,1-3H3,(H,12,13,16);7H,3-6H2,1-2H3,(H,12,15)(H,13,14,16);1-2H3
InChIKeyFJFPXXDTHPNQGO-UHFFFAOYSA-N
MW476.62 g/mol
LogP2.05
Rot. Bonds9

About N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane

N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane (PubChem CID 143940630) has the molecular formula C24H40N6O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane.

Molecular Properties

Compound NameN-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
PubChem CID143940630
Molecular FormulaC24H40N6O4
Molecular Weight476.62 g/mol
Exact Mass476.31
IUPAC NameN-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
SMILESCC.CCCCNC(=O)Cc1cnc(C)[nH]c1=O.CCN(CC)C(=O)Cc1cnc(C)[nH]c1=O
InChIInChI=1S/2C11H17N3O2.C2H6/c1-4-14(5-2)10(15)6-9-7-12-8(3)13-11(9)16;1-3-4-5-12-10(15)6-9-7-13-8(2)14-11(9)16;1-2/h7H,4-6H2,1-3H3,(H,12,13,16);7H,3-6H2,1-2H3,(H,12,15)(H,13,14,16);1-2H3
InChIKeyFJFPXXDTHPNQGO-UHFFFAOYSA-N
XLogP2.05
TPSA140.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
CID 90841217
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488
N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940497
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 143940523
(2Z)-2-(aminomethylidene)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N-ethylbutanediamide;but-2-yne;2,5-dimethyl-1H-pyrimidin-6-one;ethane
CID 143940559
2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940576
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940615
2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
CID 169664171
2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 82652716
5-(2-Aminoethyl)-2,3-dimethylpyrimidin-4-one
CID 83873637

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The IUPAC name of N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane (CID 143940630) is N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane.
What is the SMILES notation for N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The canonical SMILES for N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane is CC.CCCCNC(=O)Cc1cnc(C)[nH]c1=O.CCN(CC)C(=O)Cc1cnc(C)[nH]c1=O.
What is the InChIKey of N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The InChIKey is FJFPXXDTHPNQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17N3O2.C2H6/c1-4-14(5-2)10(15)6-9-7-12-8(3)13-11(9)16;1-3-4-5-12-10(15)6-9-7-13-8(2)14-11(9)16;1-2/h7H,4-6H2,1-3H3,(H,12,13,16);7H,3-6H2,1-2H3,(H,12,15)(H,13,14,16);1-2H3.
What are the key properties of N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane has a molecular weight of 476.62 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane is sourced from PubChem (CID 143940630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).