9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C21H23N5O2 — CID 68697949

IUPAC9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1CCN1c2nc(-c3ccncn3)cc(=O)n2CCC1C
InChIInChI=1S/C21H23N5O2/c1-15-8-11-26-20(27)13-18(17-7-10-22-14-23-17)24-21(26)25(15)12-9-16-5-3-4-6-19(16)28-2/h3-7,10,13-15H,8-9,11-12H2,1-2H3
InChIKeyNESJZLRWAKVWJS-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.55
Rot. Bonds5

About 9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 68697949) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID68697949
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1CCN1c2nc(-c3ccncn3)cc(=O)n2CCC1C
InChIInChI=1S/C21H23N5O2/c1-15-8-11-26-20(27)13-18(17-7-10-22-14-23-17)24-21(26)25(15)12-9-16-5-3-4-6-19(16)28-2/h3-7,10,13-15H,8-9,11-12H2,1-2H3
InChIKeyNESJZLRWAKVWJS-UHFFFAOYSA-N
XLogP2.55
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 68697949) is 9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is COc1ccccc1CCN1c2nc(-c3ccncn3)cc(=O)n2CCC1C.
What is the InChIKey of 9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is NESJZLRWAKVWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-8-11-26-20(27)13-18(17-7-10-22-14-23-17)24-21(26)25(15)12-9-16-5-3-4-6-19(16)28-2/h3-7,10,13-15H,8-9,11-12H2,1-2H3.
What are the key properties of 9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 377.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-methoxyphenyl)ethyl]-8-methyl-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 68697949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).