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

C18H29N7O2 — CID 138374299

IUPAC2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccnc(CN2CCN(C3NC(=O)C4CCCN(C)C4N3)CC2)n1
InChIInChI=1S/C18H29N7O2/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-14-19-6-5-15(20-14)27-2/h5-6,13,16,18,21H,3-4,7-12H2,1-2H3,(H,22,26)
InChIKeyZAPANUDNZTXWRG-UHFFFAOYSA-N
MW375.48 g/mol
LogP-0.73
Rot. Bonds4

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

2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 138374299) has the molecular formula C18H29N7O2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID138374299
Molecular FormulaC18H29N7O2
Molecular Weight375.48 g/mol
Exact Mass375.24
IUPAC Name2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccnc(CN2CCN(C3NC(=O)C4CCCN(C)C4N3)CC2)n1
InChIInChI=1S/C18H29N7O2/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-14-19-6-5-15(20-14)27-2/h5-6,13,16,18,21H,3-4,7-12H2,1-2H3,(H,22,26)
InChIKeyZAPANUDNZTXWRG-UHFFFAOYSA-N
XLogP-0.73
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-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 1
CID 138374292
US9624218, Example 7
CID 138374297
US9624218, Example 10
CID 138374298
N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326931
N-(2,2-difluoroethyl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
CID 175648381
N-(2,2-difluoroethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 177669366
6-(Difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one
CID 178188709
N-cyclopropyl-1'-(6-methoxypyrimidin-4-yl)-1,4'-bipiperidine-3-carboxamide
CID 56861783
N-(2-methoxyethyl)-1'-(4-methoxypyrimidin-2-yl)-1,4'-bipiperidine-3-carboxamide
CID 56918982
3-[[Ethyl-(4-methoxypyrimidin-2-yl)amino]methyl]piperidin-2-one
CID 123212940
2-[4-[(4-Methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 136954024

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one (CID 138374299) is 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one is COc1ccnc(CN2CCN(C3NC(=O)C4CCCN(C)C4N3)CC2)n1.
What is the InChIKey of 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZAPANUDNZTXWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O2/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-14-19-6-5-15(20-14)27-2/h5-6,13,16,18,21H,3-4,7-12H2,1-2H3,(H,22,26).
What are the key properties of 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 375.48 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138374299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).