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

C24H30F2N6S — CID 123182018

IUPAC5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)c(-c2nc3c(C4CC4)nccc3s2)c(NC2CCC(C(C)(F)F)C2)n1
InChIInChI=1S/C24H30F2N6S/c1-4-10-28-23-29-13(2)18(21(32-23)30-16-8-7-15(12-16)24(3,25)26)22-31-20-17(33-22)9-11-27-19(20)14-5-6-14/h9,11,14-16H,4-8,10,12H2,1-3H3,(H2,28,29,30,32)
InChIKeyCACUHHARPPCHBK-UHFFFAOYSA-N
MW472.61 g/mol
LogP6.39
Rot. Bonds8

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

5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 123182018) has the molecular formula C24H30F2N6S and a molecular weight of 472.61 g/mol. Its IUPAC name is 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID123182018
Molecular FormulaC24H30F2N6S
Molecular Weight472.61 g/mol
Exact Mass472.22
IUPAC Name5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)c(-c2nc3c(C4CC4)nccc3s2)c(NC2CCC(C(C)(F)F)C2)n1
InChIInChI=1S/C24H30F2N6S/c1-4-10-28-23-29-13(2)18(21(32-23)30-16-8-7-15(12-16)24(3,25)26)22-31-20-17(33-22)9-11-27-19(20)14-5-6-14/h9,11,14-16H,4-8,10,12H2,1-3H3,(H2,28,29,30,32)
InChIKeyCACUHHARPPCHBK-UHFFFAOYSA-N
XLogP6.39
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 123182018) is 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)c(-c2nc3c(C4CC4)nccc3s2)c(NC2CCC(C(C)(F)F)C2)n1.
What is the InChIKey of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is CACUHHARPPCHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N6S/c1-4-10-28-23-29-13(2)18(21(32-23)30-16-8-7-15(12-16)24(3,25)26)22-31-20-17(33-22)9-11-27-19(20)14-5-6-14/h9,11,14-16H,4-8,10,12H2,1-3H3,(H2,28,29,30,32).
What are the key properties of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 472.61 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-N-[3-(1,1-difluoroethyl)cyclopentyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 123182018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).