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

C19H22N8S — CID 135129111

IUPAC4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3CCCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C19H22N8S/c1-12-9-16(28-25-12)23-19-22-15-7-8-27(14-10-20-26(2)11-14)17(15)18(24-19)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H2,21,22,23,24)
InChIKeyUNIGPWSFHUESPT-UHFFFAOYSA-N
MW394.51 g/mol
LogP4.02
Rot. Bonds5

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

4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 135129111) has the molecular formula C19H22N8S and a molecular weight of 394.51 g/mol. Its IUPAC name is 4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID135129111
Molecular FormulaC19H22N8S
Molecular Weight394.51 g/mol
Exact Mass394.17
IUPAC Name4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3CCCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C19H22N8S/c1-12-9-16(28-25-12)23-19-22-15-7-8-27(14-10-20-26(2)11-14)17(15)18(24-19)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H2,21,22,23,24)
InChIKeyUNIGPWSFHUESPT-UHFFFAOYSA-N
XLogP4.02
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 135129111) is 4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(NC3CCCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of 4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is UNIGPWSFHUESPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8S/c1-12-9-16(28-25-12)23-19-22-15-7-8-27(14-10-20-26(2)11-14)17(15)18(24-19)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 394.51 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 135129111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).