1H-pyrido[2,3-d]pyrimidine-4-thione

C7H5N3S — CID 5382377

IUPAC1H-pyrido[2,3-d]pyrimidine-4-thione
SMILESS=c1nc[nH]c2ncccc12
InChIInChI=1S/C7H5N3S/c11-7-5-2-1-3-8-6(5)9-4-10-7/h1-4H,(H,8,9,10,11)
InChIKeyLQDZBRVMVSRDTC-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.69
Rot. Bonds

About 1H-pyrido[2,3-d]pyrimidine-4-thione

1H-pyrido[2,3-d]pyrimidine-4-thione (PubChem CID 5382377) has the molecular formula C7H5N3S and a molecular weight of 163.21 g/mol. Its IUPAC name is 1H-pyrido[2,3-d]pyrimidine-4-thione.

Molecular Properties

Compound Name1H-pyrido[2,3-d]pyrimidine-4-thione
PubChem CID5382377
Molecular FormulaC7H5N3S
Molecular Weight163.21 g/mol
Exact Mass163.02
IUPAC Name1H-pyrido[2,3-d]pyrimidine-4-thione
SMILESS=c1nc[nH]c2ncccc12
InChIInChI=1S/C7H5N3S/c11-7-5-2-1-3-8-6(5)9-4-10-7/h1-4H,(H,8,9,10,11)
InChIKeyLQDZBRVMVSRDTC-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione
CID 114055039
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 101366417
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410
2,3-dimethyl-1H-1,8-naphthyridine-4-thione
CID 142013352
5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 106513798
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993
1H-pyrrolo[2,3-b]pyridin-3-yl formate
CID 57163255
4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-1H-imidazole-5-carboxylic acid
CID 116520147

Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[2,3-d]pyrimidine-4-thione?
The IUPAC name of 1H-pyrido[2,3-d]pyrimidine-4-thione (CID 5382377) is 1H-pyrido[2,3-d]pyrimidine-4-thione.
What is the SMILES notation for 1H-pyrido[2,3-d]pyrimidine-4-thione?
The canonical SMILES for 1H-pyrido[2,3-d]pyrimidine-4-thione is S=c1nc[nH]c2ncccc12.
What is the InChIKey of 1H-pyrido[2,3-d]pyrimidine-4-thione?
The InChIKey is LQDZBRVMVSRDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3S/c11-7-5-2-1-3-8-6(5)9-4-10-7/h1-4H,(H,8,9,10,11).
What are the key properties of 1H-pyrido[2,3-d]pyrimidine-4-thione?
1H-pyrido[2,3-d]pyrimidine-4-thione has a molecular weight of 163.21 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[2,3-d]pyrimidine-4-thione is sourced from PubChem (CID 5382377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).