N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine

C13H15N7S — CID 126962343

IUPACN-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cc(-n2nc(C)cc2CNc2nccs2)nc(N)n1
InChIInChI=1S/C13H15N7S/c1-8-6-11(18-12(14)17-8)20-10(5-9(2)19-20)7-16-13-15-3-4-21-13/h3-6H,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyMBNLYKIQPJOIOG-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.93
Rot. Bonds4

About N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine

N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 126962343) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine
PubChem CID126962343
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cc(-n2nc(C)cc2CNc2nccs2)nc(N)n1
InChIInChI=1S/C13H15N7S/c1-8-6-11(18-12(14)17-8)20-10(5-9(2)19-20)7-16-13-15-3-4-21-13/h3-6H,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyMBNLYKIQPJOIOG-UHFFFAOYSA-N
XLogP1.93
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine (CID 126962343) is N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine is Cc1cc(-n2nc(C)cc2CNc2nccs2)nc(N)n1.
What is the InChIKey of N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is MBNLYKIQPJOIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-8-6-11(18-12(14)17-8)20-10(5-9(2)19-20)7-16-13-15-3-4-21-13/h3-6H,7H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine?
N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 301.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126962343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).