N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine

C15H12N6S — CID 72931926

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc3nsnc3c2)c2cccnc2n1
InChIInChI=1S/C15H12N6S/c1-9-18-14-11(3-2-6-16-14)15(19-9)17-8-10-4-5-12-13(7-10)21-22-20-12/h2-7H,8H2,1H3,(H,16,17,18,19)
InChIKeySRZRXDLQBZYZPL-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.95
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine

N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72931926) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID72931926
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc3nsnc3c2)c2cccnc2n1
InChIInChI=1S/C15H12N6S/c1-9-18-14-11(3-2-6-16-14)15(19-9)17-8-10-4-5-12-13(7-10)21-22-20-12/h2-7H,8H2,1H3,(H,16,17,18,19)
InChIKeySRZRXDLQBZYZPL-UHFFFAOYSA-N
XLogP2.95
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one
CID 72875537
5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 72927889
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72850857
CID 56969500
CID 56969500
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72914508
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine
CID 56969051
2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 87753205
ethane;5-ethyl-2,1,3-benzothiadiazole
CID 143588455
2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 72940103
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine
CID 72932305

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine (CID 72931926) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccc3nsnc3c2)c2cccnc2n1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SRZRXDLQBZYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-9-18-14-11(3-2-6-16-14)15(19-9)17-8-10-4-5-12-13(7-10)21-22-20-12/h2-7H,8H2,1H3,(H,16,17,18,19).
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 308.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72931926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).