2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C13H15N7S — CID 146662473

IUPAC2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNCCc1nc2c(NCc3ncccc3N)ncnc2s1
InChIInChI=1S/C13H15N7S/c14-4-3-10-20-11-12(18-7-19-13(11)21-10)17-6-9-8(15)2-1-5-16-9/h1-2,5,7H,3-4,6,14-15H2,(H,17,18,19)
InChIKeyLISKYYRYFBEKKR-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.18
Rot. Bonds5

About 2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 146662473) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID146662473
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNCCc1nc2c(NCc3ncccc3N)ncnc2s1
InChIInChI=1S/C13H15N7S/c14-4-3-10-20-11-12(18-7-19-13(11)21-10)17-6-9-8(15)2-1-5-16-9/h1-2,5,7H,3-4,6,14-15H2,(H,17,18,19)
InChIKeyLISKYYRYFBEKKR-UHFFFAOYSA-N
XLogP1.18
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 146662473) is 2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is NCCc1nc2c(NCc3ncccc3N)ncnc2s1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is LISKYYRYFBEKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c14-4-3-10-20-11-12(18-7-19-13(11)21-10)17-6-9-8(15)2-1-5-16-9/h1-2,5,7H,3-4,6,14-15H2,(H,17,18,19).
What are the key properties of 2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 301.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(3-amino-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 146662473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).