4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C7H8FN3 — CID 138635950

IUPAC4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFc1ncnc2c1CCNC2
InChIInChI=1S/C7H8FN3/c8-7-5-1-2-9-3-6(5)10-4-11-7/h4,9H,1-3H2
InChIKeyPFPMUAQZSZWQDR-UHFFFAOYSA-N
MW153.16 g/mol
LogP0.26
Rot. Bonds

About 4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 138635950) has the molecular formula C7H8FN3 and a molecular weight of 153.16 g/mol. Its IUPAC name is 4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID138635950
Molecular FormulaC7H8FN3
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFc1ncnc2c1CCNC2
InChIInChI=1S/C7H8FN3/c8-7-5-1-2-9-3-6(5)10-4-11-7/h4,9H,1-3H2
InChIKeyPFPMUAQZSZWQDR-UHFFFAOYSA-N
XLogP0.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 138635950) is 4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Fc1ncnc2c1CCNC2.
What is the InChIKey of 4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is PFPMUAQZSZWQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3/c8-7-5-1-2-9-3-6(5)10-4-11-7/h4,9H,1-3H2.
What are the key properties of 4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 153.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 138635950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).