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

C19H31N7O — CID 138374298

IUPAC8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
SMILESCCC(c1ncccn1)N1CCN(C2NC(=O)C3CCCN(C)C3N2)CC1
InChIInChI=1S/C19H31N7O/c1-3-15(16-20-7-5-8-21-16)25-10-12-26(13-11-25)19-22-17-14(18(27)23-19)6-4-9-24(17)2/h5,7-8,14-15,17,19,22H,3-4,6,9-13H2,1-2H3,(H,23,27)
InChIKeyKEFFBIJHBDDSSX-UHFFFAOYSA-N
MW373.51 g/mol
LogP0.22
Rot. Bonds4

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

8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 138374298) has the molecular formula C19H31N7O and a molecular weight of 373.51 g/mol. Its IUPAC name is 8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID138374298
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
SMILESCCC(c1ncccn1)N1CCN(C2NC(=O)C3CCCN(C)C3N2)CC1
InChIInChI=1S/C19H31N7O/c1-3-15(16-20-7-5-8-21-16)25-10-12-26(13-11-25)19-22-17-14(18(27)23-19)6-4-9-24(17)2/h5,7-8,14-15,17,19,22H,3-4,6,9-13H2,1-2H3,(H,23,27)
InChIKeyKEFFBIJHBDDSSX-UHFFFAOYSA-N
XLogP0.22
TPSA76.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
US9624218, Example 5
CID 138374296
US9624218, Example 1
CID 138374292
US9624218, Example 7
CID 138374297
US9624218, Example 13
CID 138374299
US9624218, Example 17
CID 138374303
US9624218, Example 41
CID 138374317
N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 110254123
N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 110269120
N-ethyl-6-{4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl}pyrimidin-4-amine
CID 53188504
6-{3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl}-N-propylpyrimidin-4-amine
CID 53174245
1,3-Dimethyl-6-{3-[4-(pyrimidin-2-YL)piperazine-1-carbonyl]piperidin-1-YL}-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 53010397

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one (CID 138374298) is 8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one is CCC(c1ncccn1)N1CCN(C2NC(=O)C3CCCN(C)C3N2)CC1.
What is the InChIKey of 8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is KEFFBIJHBDDSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O/c1-3-15(16-20-7-5-8-21-16)25-10-12-26(13-11-25)19-22-17-14(18(27)23-19)6-4-9-24(17)2/h5,7-8,14-15,17,19,22H,3-4,6,9-13H2,1-2H3,(H,23,27).
What are the key properties of 8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 373.51 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-(1-pyrimidin-2-ylpropyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138374298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).