2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine

C14H17N7OS — CID 88587145

IUPAC2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
SMILESCOCc1cc(Nc2nc3cccnc3s2)nc(NCCN)n1
InChIInChI=1S/C14H17N7OS/c1-22-8-9-7-11(20-13(18-9)17-6-4-15)21-14-19-10-3-2-5-16-12(10)23-14/h2-3,5,7H,4,6,8,15H2,1H3,(H2,17,18,19,20,21)
InChIKeyRENUBFHOVVYQLG-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.74
Rot. Bonds7

About 2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine

2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine (PubChem CID 88587145) has the molecular formula C14H17N7OS and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
PubChem CID88587145
Molecular FormulaC14H17N7OS
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC Name2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
SMILESCOCc1cc(Nc2nc3cccnc3s2)nc(NCCN)n1
InChIInChI=1S/C14H17N7OS/c1-22-8-9-7-11(20-13(18-9)17-6-4-15)21-14-19-10-3-2-5-16-12(10)23-14/h2-3,5,7H,4,6,8,15H2,1H3,(H2,17,18,19,20,21)
InChIKeyRENUBFHOVVYQLG-UHFFFAOYSA-N
XLogP1.74
TPSA110.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine (CID 88587145) is 2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine is COCc1cc(Nc2nc3cccnc3s2)nc(NCCN)n1.
What is the InChIKey of 2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The InChIKey is RENUBFHOVVYQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS/c1-22-8-9-7-11(20-13(18-9)17-6-4-15)21-14-19-10-3-2-5-16-12(10)23-14/h2-3,5,7H,4,6,8,15H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine has a molecular weight of 331.41 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-6-(methoxymethyl)-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 88587145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).