3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

C20H24N6O2 — CID 100766108

IUPAC3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccnc(N2CCN(CCc3c(C)nc4ccccn4c3=O)CC2)n1
InChIInChI=1S/C20H24N6O2/c1-15-16(19(27)26-9-4-3-5-17(26)22-15)7-10-24-11-13-25(14-12-24)20-21-8-6-18(23-20)28-2/h3-6,8-9H,7,10-14H2,1-2H3
InChIKeyQKSUCGQUZULZNM-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.17
Rot. Bonds5

About 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 100766108) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID100766108
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccnc(N2CCN(CCc3c(C)nc4ccccn4c3=O)CC2)n1
InChIInChI=1S/C20H24N6O2/c1-15-16(19(27)26-9-4-3-5-17(26)22-15)7-10-24-11-13-25(14-12-24)20-21-8-6-18(23-20)28-2/h3-6,8-9H,7,10-14H2,1-2H3
InChIKeyQKSUCGQUZULZNM-UHFFFAOYSA-N
XLogP1.17
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 100766108) is 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccnc(N2CCN(CCc3c(C)nc4ccccn4c3=O)CC2)n1.
What is the InChIKey of 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QKSUCGQUZULZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-15-16(19(27)26-9-4-3-5-17(26)22-15)7-10-24-11-13-25(14-12-24)20-21-8-6-18(23-20)28-2/h3-6,8-9H,7,10-14H2,1-2H3.
What are the key properties of 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 100766108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).