4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione

C9H10N4S — CID 12730702

IUPAC4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione
SMILES[H]/N=c1/c2cccnc2n(C)c(=S)n1C
InChIInChI=1S/C9H10N4S/c1-12-7(10)6-4-3-5-11-8(6)13(2)9(12)14/h3-5,10H,1-2H3/b10-7-
InChIKeyVPLAIWZXRCUKNY-YFHOEESVSA-N
MW206.27 g/mol
LogP1.12
Rot. Bonds

About 4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione

4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione (PubChem CID 12730702) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione
PubChem CID12730702
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione
SMILES[H]/N=c1/c2cccnc2n(C)c(=S)n1C
InChIInChI=1S/C9H10N4S/c1-12-7(10)6-4-3-5-11-8(6)13(2)9(12)14/h3-5,10H,1-2H3/b10-7-
InChIKeyVPLAIWZXRCUKNY-YFHOEESVSA-N
XLogP1.12
TPSA46.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-methylpyrido[2,3-b]indole
CID 12596580
1,2-dimethylpyrrolo[2,3-b]pyridin-3-amine
CID 82415409
ethane;9-methylpyrido[2,3-b]indole;propane
CID 171072564
2-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-dimethylpyrrolo[2,3-b]pyridine
CID 143631634
(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84671774
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-dimethylpyrrolo[2,3-b]pyridine
CID 143631633
6-bromo-9-methylpyrido[2,3-b]indole
CID 19439810
N,N,1-trimethylpyrrolo[2,3-b]pyridin-3-amine
CID 174356978
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 146615670
3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine
CID 146162317
5,7,9-trimethylpyrido[2,3-b]indole
CID 20672284

Frequently Asked Questions

What is the IUPAC name of 4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione?
The IUPAC name of 4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione (CID 12730702) is 4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione.
What is the SMILES notation for 4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione?
The canonical SMILES for 4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione is [H]/N=c1/c2cccnc2n(C)c(=S)n1C.
What is the InChIKey of 4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione?
The InChIKey is VPLAIWZXRCUKNY-YFHOEESVSA-N. The full InChI is InChI=1S/C9H10N4S/c1-12-7(10)6-4-3-5-11-8(6)13(2)9(12)14/h3-5,10H,1-2H3/b10-7-.
What are the key properties of 4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione?
4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione has a molecular weight of 206.27 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1,3-dimethylpyrido[2,3-d]pyrimidine-2-thione is sourced from PubChem (CID 12730702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).