9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C26H29N3O4 — CID 129079880

IUPAC9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CC(C2CC3=C(CCC=C3)Cc3ccccc32)n2c(CO)nc(=O)c(O)c2C1=O
InChIInChI=1S/C26H29N3O4/c1-15(2)28-13-21(29-22(14-30)27-25(32)24(31)23(29)26(28)33)20-12-17-8-4-3-7-16(17)11-18-9-5-6-10-19(18)20/h4-6,8-10,15,20-21,30-31H,3,7,11-14H2,1-2H3
InChIKeyPWGZYSNIPNFORH-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.22
Rot. Bonds3

About 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 129079880) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID129079880
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CC(C2CC3=C(CCC=C3)Cc3ccccc32)n2c(CO)nc(=O)c(O)c2C1=O
InChIInChI=1S/C26H29N3O4/c1-15(2)28-13-21(29-22(14-30)27-25(32)24(31)23(29)26(28)33)20-12-17-8-4-3-7-16(17)11-18-9-5-6-10-19(18)20/h4-6,8-10,15,20-21,30-31H,3,7,11-14H2,1-2H3
InChIKeyPWGZYSNIPNFORH-UHFFFAOYSA-N
XLogP3.22
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione with MolForge

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Related Compounds

(4S)-9-hydroxy-6-imidazol-1-yl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 129097132
9-hydroxy-2-propan-2-yl-4-(6,9,10,11-tetrahydrobenzo[c][1]benzothiepin-11-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 130434191
[(8S)-3,5-dioxo-6-propan-2-yl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl] 2-methylpropanoate
CID 122532533
(4S)-9-hydroxy-8-methylidene-6-methylsulfinyl-2-propan-2-yl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidin-1-one
CID 129095970
(4S)-4-benzhydryl-9-hydroxy-7-methyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 129096699
1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione
CID 126689625
3-(1,3-difluoropropan-2-yl)-5-hydroxy-1-(1,2,6,11-tetrahydrobenzo[c][1]benzothiepin-11-yl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 163412481
4-benzhydryl-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 77298139
6,9,10,11-tetrahydro-5H-benzo[c][1]benzazepine
CID 54099123
3-oxo-2-propan-2-yl-1H-isoindole-4-carboxylic acid
CID 45156574
1-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368768
5-hydroxy-3-(1-morpholin-4-ylpropan-2-yl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368944

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 129079880) is 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CC(C)N1CC(C2CC3=C(CCC=C3)Cc3ccccc32)n2c(CO)nc(=O)c(O)c2C1=O.
What is the InChIKey of 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is PWGZYSNIPNFORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-15(2)28-13-21(29-22(14-30)27-25(32)24(31)23(29)26(28)33)20-12-17-8-4-3-7-16(17)11-18-9-5-6-10-19(18)20/h4-6,8-10,15,20-21,30-31H,3,7,11-14H2,1-2H3.
What are the key properties of 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 447.54 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12-pentaenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 129079880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).