6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C17H16FN5S — CID 24915087

IUPAC6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCN(Cc1cnc(-c3ccc(F)cc3)s1)C2
InChIInChI=1S/C17H16FN5S/c18-13-3-1-11(2-4-13)16-20-8-14(24-16)10-23-6-5-15-12(9-23)7-21-17(19)22-15/h1-4,7-8H,5-6,9-10H2,(H2,19,21,22)
InChIKeyXDTTWZDNPSKMES-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.88
Rot. Bonds3

About 6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 24915087) has the molecular formula C17H16FN5S and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID24915087
Molecular FormulaC17H16FN5S
Molecular Weight341.42 g/mol
Exact Mass341.11
IUPAC Name6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCN(Cc1cnc(-c3ccc(F)cc3)s1)C2
InChIInChI=1S/C17H16FN5S/c18-13-3-1-11(2-4-13)16-20-8-14(24-16)10-23-6-5-15-12(9-23)7-21-17(19)22-15/h1-4,7-8H,5-6,9-10H2,(H2,19,21,22)
InChIKeyXDTTWZDNPSKMES-UHFFFAOYSA-N
XLogP2.88
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24915108
5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole
CID 24915098
5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine
CID 24912252
6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917459
5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole
CID 24914870
2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915111
6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946458
2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915113
6-[[5-(3,5-difluorophenyl)-1H-pyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24916074
6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913428
2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915578
6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946467

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 24915087) is 6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Nc1ncc2c(n1)CCN(Cc1cnc(-c3ccc(F)cc3)s1)C2.
What is the InChIKey of 6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is XDTTWZDNPSKMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5S/c18-13-3-1-11(2-4-13)16-20-8-14(24-16)10-23-6-5-15-12(9-23)7-21-17(19)22-15/h1-4,7-8H,5-6,9-10H2,(H2,19,21,22).
What are the key properties of 6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 24915087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).