2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine

C24H34N6OS — CID 123439607

IUPAC2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine
SMILESCOCC(C)Nc1nc(C)c(-c2nc3c(C)nccc3s2)c(NC2CCC(C(C)C)C2)n1
InChIInChI=1S/C24H34N6OS/c1-13(2)17-7-8-18(11-17)28-22-20(15(4)27-24(30-22)26-14(3)12-31-6)23-29-21-16(5)25-10-9-19(21)32-23/h9-10,13-14,17-18H,7-8,11-12H2,1-6H3,(H2,26,27,28,30)
InChIKeyLJXBOOYSOVKGOJ-UHFFFAOYSA-N
MW454.64 g/mol
LogP5.45
Rot. Bonds8

About 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine

2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine (PubChem CID 123439607) has the molecular formula C24H34N6OS and a molecular weight of 454.64 g/mol. Its IUPAC name is 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine
PubChem CID123439607
Molecular FormulaC24H34N6OS
Molecular Weight454.64 g/mol
Exact Mass454.25
IUPAC Name2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine
SMILESCOCC(C)Nc1nc(C)c(-c2nc3c(C)nccc3s2)c(NC2CCC(C(C)C)C2)n1
InChIInChI=1S/C24H34N6OS/c1-13(2)17-7-8-18(11-17)28-22-20(15(4)27-24(30-22)26-14(3)12-31-6)23-29-21-16(5)25-10-9-19(21)32-23/h9-10,13-14,17-18H,7-8,11-12H2,1-6H3,(H2,26,27,28,30)
InChIKeyLJXBOOYSOVKGOJ-UHFFFAOYSA-N
XLogP5.45
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine (CID 123439607) is 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine is COCC(C)Nc1nc(C)c(-c2nc3c(C)nccc3s2)c(NC2CCC(C(C)C)C2)n1.
What is the InChIKey of 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine?
The InChIKey is LJXBOOYSOVKGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6OS/c1-13(2)17-7-8-18(11-17)28-22-20(15(4)27-24(30-22)26-14(3)12-31-6)23-29-21-16(5)25-10-9-19(21)32-23/h9-10,13-14,17-18H,7-8,11-12H2,1-6H3,(H2,26,27,28,30).
What are the key properties of 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine?
2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine has a molecular weight of 454.64 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropan-2-yl)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-(3-propan-2-ylcyclopentyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123439607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).