2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine

C12H9N3S — CID 23353104

IUPAC2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine
SMILESCc1ncc2ccc(-c3cccs3)nc2n1
InChIInChI=1S/C12H9N3S/c1-8-13-7-9-4-5-10(15-12(9)14-8)11-3-2-6-16-11/h2-7H,1H3
InChIKeyCFSXZCCBYCAVHI-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.06
Rot. Bonds1

About 2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine

2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine (PubChem CID 23353104) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine
PubChem CID23353104
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine
SMILESCc1ncc2ccc(-c3cccs3)nc2n1
InChIInChI=1S/C12H9N3S/c1-8-13-7-9-4-5-10(15-12(9)14-8)11-3-2-6-16-11/h2-7H,1H3
InChIKeyCFSXZCCBYCAVHI-UHFFFAOYSA-N
XLogP3.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidine
CID 9964781
5,6-Bis-(3-fluoro-4-methyl-phenyl)-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11224573
5,6-Diphenyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11234357
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2509600
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
Thieno[2,3-c][1,8]naphthyridine
CID 1211811
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
2-Thiophen-2-ylimidazo[2,1-a]isoquinoline
CID 763549
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine (CID 23353104) is 2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine is Cc1ncc2ccc(-c3cccs3)nc2n1.
What is the InChIKey of 2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine?
The InChIKey is CFSXZCCBYCAVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-8-13-7-9-4-5-10(15-12(9)14-8)11-3-2-6-16-11/h2-7H,1H3.
What are the key properties of 2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine?
2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine has a molecular weight of 227.29 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 23353104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).