5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine

C16H16FN9S — CID 67331638

IUPAC5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESCc1nc2c(Nc3cn(C)cn3)nc(N[C@H](C)c3ncc(F)cn3)nc2s1
InChIInChI=1S/C16H16FN9S/c1-8(13-18-4-10(17)5-19-13)21-16-24-14(23-11-6-26(3)7-20-11)12-15(25-16)27-9(2)22-12/h4-8H,1-3H3,(H2,21,23,24,25)/t8-/m1/s1
InChIKeyKVDNRFOZJIVHSL-MRVPVSSYSA-N
MW385.43 g/mol
LogP2.97
Rot. Bonds5

About 5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine

5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 67331638) has the molecular formula C16H16FN9S and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID67331638
Molecular FormulaC16H16FN9S
Molecular Weight385.43 g/mol
Exact Mass385.12
IUPAC Name5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESCc1nc2c(Nc3cn(C)cn3)nc(N[C@H](C)c3ncc(F)cn3)nc2s1
InChIInChI=1S/C16H16FN9S/c1-8(13-18-4-10(17)5-19-13)21-16-24-14(23-11-6-26(3)7-20-11)12-15(25-16)27-9(2)22-12/h4-8H,1-3H3,(H2,21,23,24,25)/t8-/m1/s1
InChIKeyKVDNRFOZJIVHSL-MRVPVSSYSA-N
XLogP2.97
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-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-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 67331638) is 5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is Cc1nc2c(Nc3cn(C)cn3)nc(N[C@H](C)c3ncc(F)cn3)nc2s1.
What is the InChIKey of 5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is KVDNRFOZJIVHSL-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H16FN9S/c1-8(13-18-4-10(17)5-19-13)21-16-24-14(23-11-6-26(3)7-20-11)12-15(25-16)27-9(2)22-12/h4-8H,1-3H3,(H2,21,23,24,25)/t8-/m1/s1.
What are the key properties of 5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 385.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 67331638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).