4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one

C14H18N6O3S — CID 19358872

IUPAC4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one
SMILESCCc1nc(C)c2c(=O)[nH]c3c(N(C)C)nc(S(C)(=O)=O)nc3n12
InChIInChI=1S/C14H18N6O3S/c1-6-8-15-7(2)10-13(21)16-9-11(19(3)4)17-14(24(5,22)23)18-12(9)20(8)10/h6H2,1-5H3,(H,16,21)
InChIKeyXEBMKYPLINKBJZ-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.31
Rot. Bonds3

About 4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one

4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one (PubChem CID 19358872) has the molecular formula C14H18N6O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one.

Molecular Properties

Compound Name4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one
PubChem CID19358872
Molecular FormulaC14H18N6O3S
Molecular Weight350.40 g/mol
Exact Mass350.12
IUPAC Name4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one
SMILESCCc1nc(C)c2c(=O)[nH]c3c(N(C)C)nc(S(C)(=O)=O)nc3n12
InChIInChI=1S/C14H18N6O3S/c1-6-8-15-7(2)10-13(21)16-9-11(19(3)4)17-14(24(5,22)23)18-12(9)20(8)10/h6H2,1-5H3,(H,16,21)
InChIKeyXEBMKYPLINKBJZ-UHFFFAOYSA-N
XLogP0.31
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one
CID 19358852
4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one
CID 19358863
3-ethyl-5-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione
CID 10198727
2-(dimethylamino)-4-methyl-5-methylsulfonyl-1H-pyrimidin-6-one
CID 135698483
N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)-N-methylmethanesulfonamide
CID 46831673
4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 21073276
5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94076853
3-ethyl-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 24802718
5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135616759
12-methoxy-N,N,5-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 42624219
4,6-dimethyl-2-methylsulfonylpyrimidine-5-carboxylic acid
CID 68683508
5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135515954

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one?
The IUPAC name of 4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one (CID 19358872) is 4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one.
What is the SMILES notation for 4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one?
The canonical SMILES for 4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one is CCc1nc(C)c2c(=O)[nH]c3c(N(C)C)nc(S(C)(=O)=O)nc3n12.
What is the InChIKey of 4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one?
The InChIKey is XEBMKYPLINKBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3S/c1-6-8-15-7(2)10-13(21)16-9-11(19(3)4)17-14(24(5,22)23)18-12(9)20(8)10/h6H2,1-5H3,(H,16,21).
What are the key properties of 4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one?
4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one has a molecular weight of 350.40 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one is sourced from PubChem (CID 19358872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).