6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione

C9H16N4O2 — CID 78199743

IUPAC6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione
SMILESCC1NC2C(=O)NC(=O)NC2N(C)C1C
InChIInChI=1S/C9H16N4O2/c1-4-5(2)13(3)7-6(10-4)8(14)12-9(15)11-7/h4-7,10H,1-3H3,(H2,11,12,14,15)
InChIKeySRVLBOADGXVPPO-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.17
Rot. Bonds

About 6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione

6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione (PubChem CID 78199743) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione.

Molecular Properties

Compound Name6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione
PubChem CID78199743
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione
SMILESCC1NC2C(=O)NC(=O)NC2N(C)C1C
InChIInChI=1S/C9H16N4O2/c1-4-5(2)13(3)7-6(10-4)8(14)12-9(15)11-7/h4-7,10H,1-3H3,(H2,11,12,14,15)
InChIKeySRVLBOADGXVPPO-UHFFFAOYSA-N
XLogP-1.17
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Benzo[g]pteridine-2,4(1H,3H)-dione, 5,10-dihydro-
CID 57204132
1-Piperzineacetamide, N-(1-methylethyl)-4-(tetrahydro-2,4,6-trioxo-1(2H)-pyrimidinyl)-
CID 3039157
2-methylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 51072205
2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 51072207
N-(propan-2-ylcarbamoyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386855
(7R,9aR)-N-cyclohexyl-7-methyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56855774
(7S,9aR)-N-cyclohexyl-7-ethyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56859198
6-(Fluoromethyl)-8-(2-methylbutyl)-1,2,3,6,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione
CID 163281639
(7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 11886369
(9aR)-N-cyclohexyl-8-methyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56852426
(7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126460926
7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione
CID 279241

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione?
The IUPAC name of 6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione (CID 78199743) is 6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione.
What is the SMILES notation for 6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione?
The canonical SMILES for 6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione is CC1NC2C(=O)NC(=O)NC2N(C)C1C.
What is the InChIKey of 6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione?
The InChIKey is SRVLBOADGXVPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-5(2)13(3)7-6(10-4)8(14)12-9(15)11-7/h4-7,10H,1-3H3,(H2,11,12,14,15).
What are the key properties of 6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione?
6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethyl-1,4a,5,6,7,8a-hexahydropteridine-2,4-dione is sourced from PubChem (CID 78199743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).