4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C18H21FN4 — CID 46206864

IUPAC4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1CCCN1c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2
InChIInChI=1S/C18H21FN4/c1-12-3-2-10-23(12)18-21-16-8-9-20-11-15(16)17(22-18)13-4-6-14(19)7-5-13/h4-7,12,20H,2-3,8-11H2,1H3
InChIKeyUBXFHBYYBYPSAS-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.92
Rot. Bonds2

About 4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 46206864) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID46206864
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Name4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1CCCN1c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2
InChIInChI=1S/C18H21FN4/c1-12-3-2-10-23(12)18-21-16-8-9-20-11-15(16)17(22-18)13-4-6-14(19)7-5-13/h4-7,12,20H,2-3,8-11H2,1H3
InChIKeyUBXFHBYYBYPSAS-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 46206864) is 4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC1CCCN1c1nc2c(c(-c3ccc(F)cc3)n1)CNCC2.
What is the InChIKey of 4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is UBXFHBYYBYPSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4/c1-12-3-2-10-23(12)18-21-16-8-9-20-11-15(16)17(22-18)13-4-6-14(19)7-5-13/h4-7,12,20H,2-3,8-11H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 312.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 46206864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).