4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C11H11N3S — CID 82043862

IUPAC4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1csc(-c2ncnc3c2CNCC3)c1
InChIInChI=1S/C11H11N3S/c1-2-10(15-5-1)11-8-6-12-4-3-9(8)13-7-14-11/h1-2,5,7,12H,3-4,6H2
InChIKeyACBQQGPAWWDXPV-UHFFFAOYSA-N
MW217.30 g/mol
LogP1.85
Rot. Bonds1

About 4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 82043862) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID82043862
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1csc(-c2ncnc3c2CNCC3)c1
InChIInChI=1S/C11H11N3S/c1-2-10(15-5-1)11-8-6-12-4-3-9(8)13-7-14-11/h1-2,5,7,12H,3-4,6H2
InChIKeyACBQQGPAWWDXPV-UHFFFAOYSA-N
XLogP1.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 82043853
4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 79023920
5-bromo-4,6-dithiophen-2-ylpyrimidine
CID 134693324
4-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 137366321
5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 82583431
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;dihydrochloride
CID 154886848
1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587515
4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114272809
1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 122387474
4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
CID 91926995
2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145244
4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222600

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 82043862) is 4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is c1csc(-c2ncnc3c2CNCC3)c1.
What is the InChIKey of 4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is ACBQQGPAWWDXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-2-10(15-5-1)11-8-6-12-4-3-9(8)13-7-14-11/h1-2,5,7,12H,3-4,6H2.
What are the key properties of 4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 217.30 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 82043862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).