N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide

C13H15N5O3 — CID 108801533

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)nc(NC(=O)CCn2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C13H15N5O3/c1-8-7-9(2)15-12(14-8)16-10(19)3-5-18-6-4-11(20)17-13(18)21/h4,6-7H,3,5H2,1-2H3,(H,17,20,21)(H,14,15,16,19)
InChIKeyZRKAEMBJCSYCCE-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.03
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 108801533) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID108801533
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)nc(NC(=O)CCn2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C13H15N5O3/c1-8-7-9(2)15-12(14-8)16-10(19)3-5-18-6-4-11(20)17-13(18)21/h4,6-7H,3,5H2,1-2H3,(H,17,20,21)(H,14,15,16,19)
InChIKeyZRKAEMBJCSYCCE-UHFFFAOYSA-N
XLogP-0.03
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801659
3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide
CID 108788791
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-2-methylphenyl)propanamide
CID 108788652
N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801689
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801631
3-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-4-methylbenzoic acid
CID 108801568
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 108801599
N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 35569669
3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108810774
3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508318
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 108801533) is N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide is Cc1cc(C)nc(NC(=O)CCn2ccc(=O)[nH]c2=O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is ZRKAEMBJCSYCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-7-9(2)15-12(14-8)16-10(19)3-5-18-6-4-11(20)17-13(18)21/h4,6-7H,3,5H2,1-2H3,(H,17,20,21)(H,14,15,16,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 289.30 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 108801533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).