N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine

C10H10N6S — CID 166381501

IUPACN-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine
SMILESCN(Cc1cncs1)c1ncc2[nH]cnc2n1
InChIInChI=1S/C10H10N6S/c1-16(4-7-2-11-6-17-7)10-12-3-8-9(15-10)14-5-13-8/h2-3,5-6H,4H2,1H3,(H,12,13,14,15)
InChIKeyOVDGXUSBQPYEIR-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.45
Rot. Bonds3

About N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine

N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine (PubChem CID 166381501) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine
PubChem CID166381501
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC NameN-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine
SMILESCN(Cc1cncs1)c1ncc2[nH]cnc2n1
InChIInChI=1S/C10H10N6S/c1-16(4-7-2-11-6-17-7)10-12-3-8-9(15-10)14-5-13-8/h2-3,5-6H,4H2,1H3,(H,12,13,14,15)
InChIKeyOVDGXUSBQPYEIR-UHFFFAOYSA-N
XLogP1.45
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine?
The IUPAC name of N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine (CID 166381501) is N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine?
The canonical SMILES for N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine is CN(Cc1cncs1)c1ncc2[nH]cnc2n1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine?
The InChIKey is OVDGXUSBQPYEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-16(4-7-2-11-6-17-7)10-12-3-8-9(15-10)14-5-13-8/h2-3,5-6H,4H2,1H3,(H,12,13,14,15).
What are the key properties of N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine?
N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine has a molecular weight of 246.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-5-ylmethyl)-7H-purin-2-amine is sourced from PubChem (CID 166381501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).