6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

C13H10FN5 — CID 59987542

IUPAC6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cc2c(NCc3ccccn3)ncnc2cn1
InChIInChI=1S/C13H10FN5/c14-12-5-10-11(7-16-12)18-8-19-13(10)17-6-9-3-1-2-4-15-9/h1-5,7-8H,6H2,(H,17,18,19)
InChIKeyLBUTZPBKDJIYIN-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.17
Rot. Bonds3

About 6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 59987542) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is 6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID59987542
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC Name6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cc2c(NCc3ccccn3)ncnc2cn1
InChIInChI=1S/C13H10FN5/c14-12-5-10-11(7-16-12)18-8-19-13(10)17-6-9-3-1-2-4-15-9/h1-5,7-8H,6H2,(H,17,18,19)
InChIKeyLBUTZPBKDJIYIN-UHFFFAOYSA-N
XLogP2.17
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
7-methoxy-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003056
6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine
CID 10633767
3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62733415
3,5-difluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 112675579
6-(2-phenylimidazo[1,2-a]pyridin-6-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 168873015
5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 115749808
5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68621492
6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987540
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253
N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
1-[2-chloro-2-(4-chlorophenyl)ethyl]-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 52951669

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (CID 59987542) is 6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is Fc1cc2c(NCc3ccccn3)ncnc2cn1.
What is the InChIKey of 6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is LBUTZPBKDJIYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c14-12-5-10-11(7-16-12)18-8-19-13(10)17-6-9-3-1-2-4-15-9/h1-5,7-8H,6H2,(H,17,18,19).
What are the key properties of 6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 255.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59987542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).