1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone

C12H20N6O — CID 121002881

IUPAC1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone
SMILESCC(=O)N1CCNc2nc(N(C)C)nc(N(C)C)c21
InChIInChI=1S/C12H20N6O/c1-8(19)18-7-6-13-10-9(18)11(16(2)3)15-12(14-10)17(4)5/h6-7H2,1-5H3,(H,13,14,15)
InChIKeyARVRIMDXFDDULP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.39
Rot. Bonds2

About 1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone

1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone (PubChem CID 121002881) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone
PubChem CID121002881
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone
SMILESCC(=O)N1CCNc2nc(N(C)C)nc(N(C)C)c21
InChIInChI=1S/C12H20N6O/c1-8(19)18-7-6-13-10-9(18)11(16(2)3)15-12(14-10)17(4)5/h6-7H2,1-5H3,(H,13,14,15)
InChIKeyARVRIMDXFDDULP-UHFFFAOYSA-N
XLogP0.39
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Acetylpiperazin-1-yl)-5-amino-6-(isobutylamino)pyrimidine-2-carbonitrile
CID 44565820
2,4-Diamino-7,8-dihydro-6H-pteridine-5-carbaldehyde
CID 44331280
Pteridine, 2,4-diamino-5,6,7,8-tetrahydro-
CID 44353744
2,4-Diamino-6(5H)-pteridinone
CID 1229679
6-Ethoxymethyl-5,6,7,8-tetrahydro-pteridine-2,4-diamine
CID 10680655
AG-G-94064
CID 10702521
2-N,6,7-trimethyl-5,6,7,8-tetrahydropteridine-2,4-diamine
CID 10703582
Sodium 8-methyl-5-oxido-4-(prop-2-enylamino)pteridine-6,7-dione
CID 57394610
Sodium 8-methyl-5-oxido-4-(2-pyrrolidin-1-ylethylamino)pteridine-6,7-dione
CID 57396365
Sodium 8-methyl-5-oxido-4-(propylamino)pteridine-6,7-dione
CID 57398168
2,4-Diamino-7(8H)-pteridinone
CID 5374573
Pteridine, 2,4-diamino-5,6,7,8-tetrahydro-6-oxo-
CID 12478509

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone?
The IUPAC name of 1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone (CID 121002881) is 1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone.
What is the SMILES notation for 1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone?
The canonical SMILES for 1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone is CC(=O)N1CCNc2nc(N(C)C)nc(N(C)C)c21.
What is the InChIKey of 1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone?
The InChIKey is ARVRIMDXFDDULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-8(19)18-7-6-13-10-9(18)11(16(2)3)15-12(14-10)17(4)5/h6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone?
1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone has a molecular weight of 264.33 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(dimethylamino)-7,8-dihydro-6H-pteridin-5-yl]ethanone is sourced from PubChem (CID 121002881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).