2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

C18H24FN7O — CID 138374296

IUPAC2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCC(c1ncc(F)cn1)N1CCN(C2=NC(=O)C3CCCN(C)C3=N2)CC1
InChIInChI=1S/C18H24FN7O/c1-12(15-20-10-13(19)11-21-15)25-6-8-26(9-7-25)18-22-16-14(17(27)23-18)4-3-5-24(16)2/h10-12,14H,3-9H2,1-2H3
InChIKeyAGRAVFDRIPUTMC-UHFFFAOYSA-N
MW373.44 g/mol
LogP0.93
Rot. Bonds2

About 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 138374296) has the molecular formula C18H24FN7O and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID138374296
Molecular FormulaC18H24FN7O
Molecular Weight373.44 g/mol
Exact Mass373.20
IUPAC Name2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCC(c1ncc(F)cn1)N1CCN(C2=NC(=O)C3CCCN(C)C3=N2)CC1
InChIInChI=1S/C18H24FN7O/c1-12(15-20-10-13(19)11-21-15)25-6-8-26(9-7-25)18-22-16-14(17(27)23-18)4-3-5-24(16)2/h10-12,14H,3-9H2,1-2H3
InChIKeyAGRAVFDRIPUTMC-UHFFFAOYSA-N
XLogP0.93
TPSA77.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13254321
1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentyl}-4,4-dimethyl-piperidine-2,6-dione
CID 44292776
US9624218, Example 15
CID 138374301
US9624218, Example 16
CID 138374302
US9624218, Example 39
CID 138374315
US9624218, Example 7
CID 138374297
US9624218, Example 10
CID 138374298
US9624218, Example 14
CID 138374300
US9624218, Example 17
CID 138374303
US9624218, Example 18
CID 138374304
US9624218, Example 41
CID 138374317
2-[2-(Dimethylamino)ethyl]-9-[(2-isopropylpyrimidin-5-YL)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70715515

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (CID 138374296) is 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is CC(c1ncc(F)cn1)N1CCN(C2=NC(=O)C3CCCN(C)C3=N2)CC1.
What is the InChIKey of 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is AGRAVFDRIPUTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN7O/c1-12(15-20-10-13(19)11-21-15)25-6-8-26(9-7-25)18-22-16-14(17(27)23-18)4-3-5-24(16)2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 373.44 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138374296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).