N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide

C10H9N3O3S — CID 851472

IUPACN-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cccs1
InChIInChI=1S/C10H9N3O3S/c1-5-7(9(15)13-10(16)11-5)12-8(14)6-3-2-4-17-6/h2-4H,1H3,(H,12,14)(H2,11,13,15,16)
InChIKeyMQFQPKMJNJEQBO-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.69
Rot. Bonds2

About N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide

N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 851472) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID851472
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC NameN-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cccs1
InChIInChI=1S/C10H9N3O3S/c1-5-7(9(15)13-10(16)11-5)12-8(14)6-3-2-4-17-6/h2-4H,1H3,(H,12,14)(H2,11,13,15,16)
InChIKeyMQFQPKMJNJEQBO-UHFFFAOYSA-N
XLogP0.69
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 3245898
N-(1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl)thiophene-2-carboxamide
CID 662714
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide
CID 903488
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide
CID 8933620
N-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-thiophenecarboxamide
CID 685023
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 18084095
4-Methyl-5-(thiophene-2-carbonyl)-1,3-dihydro-2H-imidazol-2-one
CID 15567546
N-Butyl-2-[(thiophen-2-YL)formamido]acetamide
CID 4651457
4-Ethyl-5-(thiophene-2-carbonyl)-1,3-dihydroimidazol-2-one
CID 15567547
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 24980463
N-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thiophene-2-carboxamide
CID 42281640
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-thiophen-2-ylacetamide
CID 72004631

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide (CID 851472) is N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide is Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cccs1.
What is the InChIKey of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is MQFQPKMJNJEQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-5-7(9(15)13-10(16)11-5)12-8(14)6-3-2-4-17-6/h2-4H,1H3,(H,12,14)(H2,11,13,15,16).
What are the key properties of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide?
N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 251.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 851472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).