4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide

C10H8ClN3O2S — CID 116852005

IUPAC4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide
SMILESCn1cc(C(N)=O)c(-c2ccc(Cl)s2)nc1=O
InChIInChI=1S/C10H8ClN3O2S/c1-14-4-5(9(12)15)8(13-10(14)16)6-2-3-7(11)17-6/h2-4H,1H3,(H2,12,15)
InChIKeyXVTWBDWMXWQMIE-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.26
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide

4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide (PubChem CID 116852005) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide
PubChem CID116852005
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide
SMILESCn1cc(C(N)=O)c(-c2ccc(Cl)s2)nc1=O
InChIInChI=1S/C10H8ClN3O2S/c1-14-4-5(9(12)15)8(13-10(14)16)6-2-3-7(11)17-6/h2-4H,1H3,(H2,12,15)
InChIKeyXVTWBDWMXWQMIE-UHFFFAOYSA-N
XLogP1.26
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide (CID 116852005) is 4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide is Cn1cc(C(N)=O)c(-c2ccc(Cl)s2)nc1=O.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide?
The InChIKey is XVTWBDWMXWQMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-14-4-5(9(12)15)8(13-10(14)16)6-2-3-7(11)17-6/h2-4H,1H3,(H2,12,15).
What are the key properties of 4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide?
4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide has a molecular weight of 269.71 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-1-methyl-2-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 116852005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).