6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine

C19H24N8OS — CID 123412745

IUPAC6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
SMILESc1cnc2sc(Nc3cc(CN4CCOCC4)nc(NC4CCNC4)n3)nc2c1
InChIInChI=1S/C19H24N8OS/c1-2-15-17(21-4-1)29-19(24-15)26-16-10-14(12-27-6-8-28-9-7-27)23-18(25-16)22-13-3-5-20-11-13/h1-2,4,10,13,20H,3,5-9,11-12H2,(H2,22,23,24,25,26)
InChIKeyHZJROWXMZSOIGG-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.83
Rot. Bonds6

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

6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine (PubChem CID 123412745) has the molecular formula C19H24N8OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
PubChem CID123412745
Molecular FormulaC19H24N8OS
Molecular Weight412.52 g/mol
Exact Mass412.18
IUPAC Name6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
SMILESc1cnc2sc(Nc3cc(CN4CCOCC4)nc(NC4CCNC4)n3)nc2c1
InChIInChI=1S/C19H24N8OS/c1-2-15-17(21-4-1)29-19(24-15)26-16-10-14(12-27-6-8-28-9-7-27)23-18(25-16)22-13-3-5-20-11-13/h1-2,4,10,13,20H,3,5-9,11-12H2,(H2,22,23,24,25,26)
InChIKeyHZJROWXMZSOIGG-UHFFFAOYSA-N
XLogP1.83
TPSA100.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine (CID 123412745) is 6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine is c1cnc2sc(Nc3cc(CN4CCOCC4)nc(NC4CCNC4)n3)nc2c1.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The InChIKey is HZJROWXMZSOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8OS/c1-2-15-17(21-4-1)29-19(24-15)26-16-10-14(12-27-6-8-28-9-7-27)23-18(25-16)22-13-3-5-20-11-13/h1-2,4,10,13,20H,3,5-9,11-12H2,(H2,22,23,24,25,26).
What are the key properties of 6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine has a molecular weight of 412.52 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylmethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123412745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).