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

C17H27N7O — CID 138374292

IUPAC8-methyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCCC2C(=O)NC(N3CCN(Cc4ncccn4)CC3)NC21
InChIInChI=1S/C17H27N7O/c1-22-7-2-4-13-15(22)20-17(21-16(13)25)24-10-8-23(9-11-24)12-14-18-5-3-6-19-14/h3,5-6,13,15,17,20H,2,4,7-12H2,1H3,(H,21,25)
InChIKeyKWMGAGGVCROHND-UHFFFAOYSA-N
MW345.45 g/mol
LogP-0.73
Rot. Bonds3

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

8-methyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 138374292) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 8-methyl-2-[4-(pyrimidin-2-ylmethyl)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-(pyrimidin-2-ylmethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID138374292
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name8-methyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCCC2C(=O)NC(N3CCN(Cc4ncccn4)CC3)NC21
InChIInChI=1S/C17H27N7O/c1-22-7-2-4-13-15(22)20-17(21-16(13)25)24-10-8-23(9-11-24)12-14-18-5-3-6-19-14/h3,5-6,13,15,17,20H,2,4,7-12H2,1H3,(H,21,25)
InChIKeyKWMGAGGVCROHND-UHFFFAOYSA-N
XLogP-0.73
TPSA76.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-methyl-2-[4-(pyrimidin-2-ylmethyl)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

US9624218, Example 39
CID 138374315
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
US9624218, Example 7
CID 138374297
US9624218, Example 10
CID 138374298
US9624218, Example 13
CID 138374299
US9624218, Example 17
CID 138374303
US9624218, Example 41
CID 138374317
N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223371
1-pyrimidin-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501839
1-butanoyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501867
N-ethyl-6-{4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl}pyrimidin-4-amine
CID 53188504
2-{1-[2-(Ethylamino)pyrimidin-4-YL]piperidin-4-YL}-N-isobutylacetamide
CID 53189293

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-(pyrimidin-2-ylmethyl)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-(pyrimidin-2-ylmethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one (CID 138374292) is 8-methyl-2-[4-(pyrimidin-2-ylmethyl)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-(pyrimidin-2-ylmethyl)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-(pyrimidin-2-ylmethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one is CN1CCCC2C(=O)NC(N3CCN(Cc4ncccn4)CC3)NC21.
What is the InChIKey of 8-methyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is KWMGAGGVCROHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-22-7-2-4-13-15(22)20-17(21-16(13)25)24-10-8-23(9-11-24)12-14-18-5-3-6-19-14/h3,5-6,13,15,17,20H,2,4,7-12H2,1H3,(H,21,25).
What are the key properties of 8-methyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
8-methyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 345.45 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138374292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).