6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H21FN4 — CID 24915825

IUPAC6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1cnc(F)c(C)c1)C2
InChIInChI=1S/C17H21FN4/c1-3-4-16-19-9-14-11-22(6-5-15(14)21-16)10-13-7-12(2)17(18)20-8-13/h7-9H,3-6,10-11H2,1-2H3
InChIKeyUYOWOYWBKKSFPR-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.83
Rot. Bonds4

About 6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915825) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24915825
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1cnc(F)c(C)c1)C2
InChIInChI=1S/C17H21FN4/c1-3-4-16-19-9-14-11-22(6-5-15(14)21-16)10-13-7-12(2)17(18)20-8-13/h7-9H,3-6,10-11H2,1-2H3
InChIKeyUYOWOYWBKKSFPR-UHFFFAOYSA-N
XLogP2.83
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914775
6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912087
6-[(3,4-dichlorophenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929961
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
2-propyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928197
5-methyl-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24916056
6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947168
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912024
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912003
6-[(2,3-dimethylimidazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915783
2-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24910029
6-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916560

Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915825) is 6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1cnc(F)c(C)c1)C2.
What is the InChIKey of 6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is UYOWOYWBKKSFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-3-4-16-19-9-14-11-22(6-5-15(14)21-16)10-13-7-12(2)17(18)20-8-13/h7-9H,3-6,10-11H2,1-2H3.
What are the key properties of 6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 300.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).