(4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione

C7H12N4O2 — CID 92759363

IUPAC(4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione
SMILESC[C@H]1CN[C@@H]2C(=O)NC(=O)N[C@@H]2N1
InChIInChI=1S/C7H12N4O2/c1-3-2-8-4-5(9-3)10-7(13)11-6(4)12/h3-5,8-9H,2H2,1H3,(H2,10,11,12,13)/t3-,4-,5-/m0/s1
InChIKeyXYLXQPWBEAJZGS-YUPRTTJUSA-N
MW184.20 g/mol
LogP-1.90
Rot. Bonds

About (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione

(4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione (PubChem CID 92759363) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name(4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione
PubChem CID92759363
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name(4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione
SMILESC[C@H]1CN[C@@H]2C(=O)NC(=O)N[C@@H]2N1
InChIInChI=1S/C7H12N4O2/c1-3-2-8-4-5(9-3)10-7(13)11-6(4)12/h3-5,8-9H,2H2,1H3,(H2,10,11,12,13)/t3-,4-,5-/m0/s1
InChIKeyXYLXQPWBEAJZGS-YUPRTTJUSA-N
XLogP-1.90
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione with MolForge

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Related Compounds

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8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione
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(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione
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5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione?
The IUPAC name of (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione (CID 92759363) is (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione.
What is the SMILES notation for (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione?
The canonical SMILES for (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione is C[C@H]1CN[C@@H]2C(=O)NC(=O)N[C@@H]2N1.
What is the InChIKey of (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione?
The InChIKey is XYLXQPWBEAJZGS-YUPRTTJUSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-2-8-4-5(9-3)10-7(13)11-6(4)12/h3-5,8-9H,2H2,1H3,(H2,10,11,12,13)/t3-,4-,5-/m0/s1.
What are the key properties of (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione?
(4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione has a molecular weight of 184.20 g/mol, XLogP of -1.90, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione is sourced from PubChem (CID 92759363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).