4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide

C9H9N5O2S — CID 5358634

IUPAC4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCSc1nc(N)c2c(C(N)=O)cc(=O)[nH]c2n1
InChIInChI=1S/C9H9N5O2S/c1-17-9-13-6(10)5-3(7(11)16)2-4(15)12-8(5)14-9/h2H,1H3,(H2,11,16)(H3,10,12,13,14,15)
InChIKeyBWMNNELXSYRGJF-UHFFFAOYSA-N
MW251.27 g/mol
LogP-0.28
Rot. Bonds2

About 4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide

4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 5358634) has the molecular formula C9H9N5O2S and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID5358634
Molecular FormulaC9H9N5O2S
Molecular Weight251.27 g/mol
Exact Mass251.05
IUPAC Name4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCSc1nc(N)c2c(C(N)=O)cc(=O)[nH]c2n1
InChIInChI=1S/C9H9N5O2S/c1-17-9-13-6(10)5-3(7(11)16)2-4(15)12-8(5)14-9/h2H,1H3,(H2,11,16)(H3,10,12,13,14,15)
InChIKeyBWMNNELXSYRGJF-UHFFFAOYSA-N
XLogP-0.28
TPSA127.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 5358634) is 4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide is CSc1nc(N)c2c(C(N)=O)cc(=O)[nH]c2n1.
What is the InChIKey of 4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BWMNNELXSYRGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S/c1-17-9-13-6(10)5-3(7(11)16)2-4(15)12-8(5)14-9/h2H,1H3,(H2,11,16)(H3,10,12,13,14,15).
What are the key properties of 4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide?
4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 251.27 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 5358634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).