5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine

About 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine

5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine (PubChem CID 123268425) has the molecular formula C26H36N6O3S2 and a molecular weight of 544.75 g/mol. Its IUPAC name is 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name	5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine
PubChem CID	123268425
Molecular Formula	C26H36N6O3S2
Molecular Weight	544.75 g/mol
Exact Mass	544.23
IUPAC Name	5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine
SMILES	COCCNc1nc(C)c(-c2nc3c(C4CC4)nccc3s2)c(NC2CCC(C(C)(C)S(C)(=O)=O)C2)n1
InChI	InChI=1S/C26H36N6O3S2/c1-15-20(24-31-22-19(36-24)10-11-27-21(22)16-6-7-16)23(32-25(29-15)28-12-13-35-4)30-18-9-8-17(14-18)26(2,3)37(5,33)34/h10-11,16-18H,6-9,12-14H2,1-5H3,(H2,28,29,30,32)
InChIKey	RAOKQHCRICZEGT-UHFFFAOYSA-N
XLogP	4.80
TPSA	118.99 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	10
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.75
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine?

The IUPAC name of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine (CID 123268425) is 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine?

The canonical SMILES for 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine is COCCNc1nc(C)c(-c2nc3c(C4CC4)nccc3s2)c(NC2CCC(C(C)(C)S(C)(=O)=O)C2)n1.

What is the InChIKey of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine?

The InChIKey is RAOKQHCRICZEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O3S2/c1-15-20(24-31-22-19(36-24)10-11-27-21(22)16-6-7-16)23(32-25(29-15)28-12-13-35-4)30-18-9-8-17(14-18)26(2,3)37(5,33)34/h10-11,16-18H,6-9,12-14H2,1-5H3,(H2,28,29,30,32).

What are the key properties of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine?

5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine has a molecular weight of 544.75 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-N-(2-methoxyethyl)-6-methyl-4-N-[3-(2-methylsulfonylpropan-2-yl)cyclopentyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 123268425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).