1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C20H24N6O4 — CID 67307864

IUPAC1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)nc2n(CCO)nc(-c3ccc(OCCN4CCCC4)cc3)nc-2c1=O
InChIInChI=1S/C20H24N6O4/c1-24-19(28)16-18(22-20(24)29)26(10-12-27)23-17(21-16)14-4-6-15(7-5-14)30-13-11-25-8-2-3-9-25/h4-7,27H,2-3,8-13H2,1H3
InChIKeySPUQDZVUVYMGQI-UHFFFAOYSA-N
MW412.45 g/mol
LogP-0.03
Rot. Bonds7

About 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione

1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67307864) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID67307864
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Name1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)nc2n(CCO)nc(-c3ccc(OCCN4CCCC4)cc3)nc-2c1=O
InChIInChI=1S/C20H24N6O4/c1-24-19(28)16-18(22-20(24)29)26(10-12-27)23-17(21-16)14-4-6-15(7-5-14)30-13-11-25-8-2-3-9-25/h4-7,27H,2-3,8-13H2,1H3
InChIKeySPUQDZVUVYMGQI-UHFFFAOYSA-N
XLogP-0.03
TPSA115.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 823993
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
3-[3-(dimethylamino)-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-methyl-1-propan-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 142926914
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
CID 10840369
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 79793888
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
2-[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone
CID 149372489
1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine
CID 3074470

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67307864) is 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)nc2n(CCO)nc(-c3ccc(OCCN4CCCC4)cc3)nc-2c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is SPUQDZVUVYMGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-24-19(28)16-18(22-20(24)29)26(10-12-27)23-17(21-16)14-4-6-15(7-5-14)30-13-11-25-8-2-3-9-25/h4-7,27H,2-3,8-13H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 412.45 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67307864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).