N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine

C6H6N4S — CID 129151493

IUPACN-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine
SMILESCNc1snc2ncncc12
InChIInChI=1S/C6H6N4S/c1-7-6-4-2-8-3-9-5(4)10-11-6/h2-3,7H,1H3
InChIKeyKBFDZDHFXAFHRA-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.13
Rot. Bonds1

About N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine

N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine (PubChem CID 129151493) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound NameN-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine
PubChem CID129151493
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC NameN-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine
SMILESCNc1snc2ncncc12
InChIInChI=1S/C6H6N4S/c1-7-6-4-2-8-3-9-5(4)10-11-6/h2-3,7H,1H3
InChIKeyKBFDZDHFXAFHRA-UHFFFAOYSA-N
XLogP1.13
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol
CID 135982472
N-methylquinazolin-5-amine
CID 149315955
N-[3-chloro-2-hydroxy-5-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenyl]acetamide
CID 135982450
5-methylpyrido[2,3-d]pyrimidine
CID 58077929
(2-methylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine
CID 142125880
3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen
CID 145480449
2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
CID 143285060
N-methylthieno[3,2-d]pyrimidin-7-amine
CID 142501117
acetylene;5-N-methylpyrimidine-4,5-diamine
CID 143435475
8-(3-methylthiophen-2-yl)-7H-purine
CID 114402599
7H-purine;trihydrochloride
CID 141012213
4,5-dimethylpyrimidine;hydrochloride
CID 126810746

Frequently Asked Questions

What is the IUPAC name of N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine (CID 129151493) is N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine is CNc1snc2ncncc12.
What is the InChIKey of N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is KBFDZDHFXAFHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-7-6-4-2-8-3-9-5(4)10-11-6/h2-3,7H,1H3.
What are the key properties of N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine?
N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 166.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 129151493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).