2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine

C19H25FN6 — CID 74767715

IUPAC2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine
SMILESNCC(c1ccc(F)cc1)N1CCN(c2ncnc3c2CCCN3)CC1
InChIInChI=1S/C19H25FN6/c20-15-5-3-14(4-6-15)17(12-21)25-8-10-26(11-9-25)19-16-2-1-7-22-18(16)23-13-24-19/h3-6,13,17H,1-2,7-12,21H2,(H,22,23,24)
InChIKeyZILOYVHCXCTWKO-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.80
Rot. Bonds4

About 2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine

2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine (PubChem CID 74767715) has the molecular formula C19H25FN6 and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine
PubChem CID74767715
Molecular FormulaC19H25FN6
Molecular Weight356.45 g/mol
Exact Mass356.21
IUPAC Name2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine
SMILESNCC(c1ccc(F)cc1)N1CCN(c2ncnc3c2CCCN3)CC1
InChIInChI=1S/C19H25FN6/c20-15-5-3-14(4-6-15)17(12-21)25-8-10-26(11-9-25)19-16-2-1-7-22-18(16)23-13-24-19/h3-6,13,17H,1-2,7-12,21H2,(H,22,23,24)
InChIKeyZILOYVHCXCTWKO-UHFFFAOYSA-N
XLogP1.80
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine (CID 74767715) is 2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine is NCC(c1ccc(F)cc1)N1CCN(c2ncnc3c2CCCN3)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine?
The InChIKey is ZILOYVHCXCTWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6/c20-15-5-3-14(4-6-15)17(12-21)25-8-10-26(11-9-25)19-16-2-1-7-22-18(16)23-13-24-19/h3-6,13,17H,1-2,7-12,21H2,(H,22,23,24).
What are the key properties of 2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine?
2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine has a molecular weight of 356.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 74767715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).