7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide

C12H13ClN4OS — CID 175758762

IUPAC7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCSc1nc(C)nc2nc(Cl)c(C(=O)N(C)C)cc12
InChIInChI=1S/C12H13ClN4OS/c1-6-14-10-8(11(15-6)19-4)5-7(9(13)16-10)12(18)17(2)3/h5H,1-4H3
InChIKeyUFEWQWOZSCRVHE-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.41
Rot. Bonds2

About 7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide

7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 175758762) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID175758762
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCSc1nc(C)nc2nc(Cl)c(C(=O)N(C)C)cc12
InChIInChI=1S/C12H13ClN4OS/c1-6-14-10-8(11(15-6)19-4)5-7(9(13)16-10)12(18)17(2)3/h5H,1-4H3
InChIKeyUFEWQWOZSCRVHE-UHFFFAOYSA-N
XLogP2.41
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 175758762) is 7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide is CSc1nc(C)nc2nc(Cl)c(C(=O)N(C)C)cc12.
What is the InChIKey of 7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UFEWQWOZSCRVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-6-14-10-8(11(15-6)19-4)5-7(9(13)16-10)12(18)17(2)3/h5H,1-4H3.
What are the key properties of 7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide?
7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N,2-trimethyl-4-methylsulfanylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175758762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).