5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C20H25N9OS — CID 135129186

IUPAC5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C20H25N9OS/c1-14-11-17(31-26-14)24-20-23-16-3-5-29(15-12-22-27(2)13-15)18(16)19(25-20)21-4-6-28-7-9-30-10-8-28/h3,5,11-13H,4,6-10H2,1-2H3,(H2,21,23,24,25)
InChIKeyJUWYIZOAXOUJKX-UHFFFAOYSA-N
MW439.55 g/mol
LogP2.41
Rot. Bonds7

About 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 135129186) has the molecular formula C20H25N9OS and a molecular weight of 439.55 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID135129186
Molecular FormulaC20H25N9OS
Molecular Weight439.55 g/mol
Exact Mass439.19
IUPAC Name5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C20H25N9OS/c1-14-11-17(31-26-14)24-20-23-16-3-5-29(15-12-22-27(2)13-15)18(16)19(25-20)21-4-6-28-7-9-30-10-8-28/h3,5,11-13H,4,6-10H2,1-2H3,(H2,21,23,24,25)
InChIKeyJUWYIZOAXOUJKX-UHFFFAOYSA-N
XLogP2.41
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.55
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]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 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 135129186) is 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(NCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is JUWYIZOAXOUJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9OS/c1-14-11-17(31-26-14)24-20-23-16-3-5-29(15-12-22-27(2)13-15)18(16)19(25-20)21-4-6-28-7-9-30-10-8-28/h3,5,11-13H,4,6-10H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 439.55 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 135129186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).