2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide

C14H22N4O3 — CID 56746306

IUPAC2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C14H22N4O3/c1-8-11(9(2)17-14(21)16-8)6-7-12(19)15-10(3)13(20)18(4)5/h10H,6-7H2,1-5H3,(H,15,19)(H,16,17,21)
InChIKeyWSWHKQMCQULSCE-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.09
Rot. Bonds5

About 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide

2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide (PubChem CID 56746306) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide
PubChem CID56746306
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C14H22N4O3/c1-8-11(9(2)17-14(21)16-8)6-7-12(19)15-10(3)13(20)18(4)5/h10H,6-7H2,1-5H3,(H,15,19)(H,16,17,21)
InChIKeyWSWHKQMCQULSCE-UHFFFAOYSA-N
XLogP-0.09
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide
CID 9405707
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 9405708
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9406387
N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 9406635
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9406707
N-cyclopropyl-1-[3-(2-hydroxy-4,6-dimethyl-5-pyrimidinyl)propanoyl]-2-piperazinecarboxamide
CID 56892505
N-{(1S*,2R*)-2-[(1-ethyl-4-piperidinyl)amino]cyclobutyl}-3-(2-hydroxy-4,6-dimethyl-5-pyrimidinyl)propanamide
CID 56892726
N-cyclohexyl-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 60675842
N-butan-2-yl-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 60675879
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 60675898
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide
CID 60675927
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 60675949

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide (CID 56746306) is 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)NC(C)C(=O)N(C)C.
What is the InChIKey of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide?
The InChIKey is WSWHKQMCQULSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-8-11(9(2)17-14(21)16-8)6-7-12(19)15-10(3)13(20)18(4)5/h10H,6-7H2,1-5H3,(H,15,19)(H,16,17,21).
What are the key properties of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide?
2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide has a molecular weight of 294.36 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 56746306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).