2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione

C8H11N5O2 — CID 135403820

IUPAC2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione
SMILESCC1(C)Nc2nc(N)[nH]c(=O)c2NC1=O
InChIInChI=1S/C8H11N5O2/c1-8(2)6(15)10-3-4(13-8)11-7(9)12-5(3)14/h1-2H3,(H,10,15)(H4,9,11,12,13,14)
InChIKeyJMLQSLXEUWNWFI-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.51
Rot. Bonds

About 2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione

2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione (PubChem CID 135403820) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione
PubChem CID135403820
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione
SMILESCC1(C)Nc2nc(N)[nH]c(=O)c2NC1=O
InChIInChI=1S/C8H11N5O2/c1-8(2)6(15)10-3-4(13-8)11-7(9)12-5(3)14/h1-2H3,(H,10,15)(H4,9,11,12,13,14)
InChIKeyJMLQSLXEUWNWFI-UHFFFAOYSA-N
XLogP-0.51
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride
CID 135626460
2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride
CID 135626456
(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one
CID 136740661
2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione
CID 136818761
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135445757
2-amino-6-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136785640
2-amino-7-[(E)-(2-amino-4,6-dioxo-5,8-dihydro-3H-pteridin-7-ylidene)methyl]-3,5-dihydropteridine-4,6-dione
CID 137321673
2-amino-8-ethyl-6,7-bis(sulfanyl)-3,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-4-one
CID 136707557
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135452518
2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one
CID 135420615
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one
CID 101431856

Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione?
The IUPAC name of 2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione (CID 135403820) is 2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione.
What is the SMILES notation for 2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione?
The canonical SMILES for 2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione is CC1(C)Nc2nc(N)[nH]c(=O)c2NC1=O.
What is the InChIKey of 2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione?
The InChIKey is JMLQSLXEUWNWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-8(2)6(15)10-3-4(13-8)11-7(9)12-5(3)14/h1-2H3,(H,10,15)(H4,9,11,12,13,14).
What are the key properties of 2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione?
2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione has a molecular weight of 209.21 g/mol, XLogP of -0.51, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione is sourced from PubChem (CID 135403820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).