4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole

C16H13F2N5S — CID 139461730

IUPAC4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(F)c1
InChIInChI=1S/C16H13F2N5S/c1-9-11-6-19-16(13-7-24-8-20-13)21-12(11)2-3-23(9)10-4-14(17)22-15(18)5-10/h4-9H,2-3H2,1H3
InChIKeyJBSVWZHCGHDVRY-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.40
Rot. Bonds2

About 4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole

4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 139461730) has the molecular formula C16H13F2N5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID139461730
Molecular FormulaC16H13F2N5S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(F)c1
InChIInChI=1S/C16H13F2N5S/c1-9-11-6-19-16(13-7-24-8-20-13)21-12(11)2-3-23(9)10-4-14(17)22-15(18)5-10/h4-9H,2-3H2,1H3
InChIKeyJBSVWZHCGHDVRY-UHFFFAOYSA-N
XLogP3.40
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 139461730) is 4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(F)c1.
What is the InChIKey of 4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is JBSVWZHCGHDVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5S/c1-9-11-6-19-16(13-7-24-8-20-13)21-12(11)2-3-23(9)10-4-14(17)22-15(18)5-10/h4-9H,2-3H2,1H3.
What are the key properties of 4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 345.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,6-difluoro-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 139461730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).