8-ethyl-2-(ethylamino)-4-methylpteridin-7-one

C11H15N5O — CID 171384108

IUPAC8-ethyl-2-(ethylamino)-4-methylpteridin-7-one
SMILESCCNc1nc(C)c2ncc(=O)n(CC)c2n1
InChIInChI=1S/C11H15N5O/c1-4-12-11-14-7(3)9-10(15-11)16(5-2)8(17)6-13-9/h6H,4-5H2,1-3H3,(H,12,14,15)
InChIKeyRPJVEACLELOBKU-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.95
Rot. Bonds3

About 8-ethyl-2-(ethylamino)-4-methylpteridin-7-one

8-ethyl-2-(ethylamino)-4-methylpteridin-7-one (PubChem CID 171384108) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 8-ethyl-2-(ethylamino)-4-methylpteridin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(ethylamino)-4-methylpteridin-7-one
PubChem CID171384108
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name8-ethyl-2-(ethylamino)-4-methylpteridin-7-one
SMILESCCNc1nc(C)c2ncc(=O)n(CC)c2n1
InChIInChI=1S/C11H15N5O/c1-4-12-11-14-7(3)9-10(15-11)16(5-2)8(17)6-13-9/h6H,4-5H2,1-3H3,(H,12,14,15)
InChIKeyRPJVEACLELOBKU-UHFFFAOYSA-N
XLogP0.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5H-pteridin-6-one
CID 595562
(7S)-2-chloro-4,7,8-trimethyl-5,6,7,8-tetrahydropteridin-6-one
CID 146193989
Pteridine, 2-amino-4-dimethylamino-7,8-dihydro-7-oxo-
CID 159756157
Pteridine, 4-amino-2-dimethylamino-7,8-dihydro-7-oxo-
CID 14055949
Pteridine, 7,8-dihydro-4,6-dimethyl-
CID 23422324
Pteridine, 5-formyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422330
Pteridine, 5-acetyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422332
Pteridine, 5,8-diacetyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422334
Pyrimidine, 4-amino-6-methyl-5-methylformamido-
CID 145618706
6-Pteridinecarboxylic acid, 8-ethyl-2-ethylamino-7,8-dihydro-4-methyl-7-oxo-
CID 171383913
6-Pteridinecarboxylic acid, 8-ethyl-2-ethylamino-5,8-dihydro-7-hydroxy-4-methyl-
CID 171384007
Pteridine, 4-amino-2-dimethylamino-5,6-dihydro-6-oxo-
CID 171384122

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(ethylamino)-4-methylpteridin-7-one?
The IUPAC name of 8-ethyl-2-(ethylamino)-4-methylpteridin-7-one (CID 171384108) is 8-ethyl-2-(ethylamino)-4-methylpteridin-7-one.
What is the SMILES notation for 8-ethyl-2-(ethylamino)-4-methylpteridin-7-one?
The canonical SMILES for 8-ethyl-2-(ethylamino)-4-methylpteridin-7-one is CCNc1nc(C)c2ncc(=O)n(CC)c2n1.
What is the InChIKey of 8-ethyl-2-(ethylamino)-4-methylpteridin-7-one?
The InChIKey is RPJVEACLELOBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-4-12-11-14-7(3)9-10(15-11)16(5-2)8(17)6-13-9/h6H,4-5H2,1-3H3,(H,12,14,15).
What are the key properties of 8-ethyl-2-(ethylamino)-4-methylpteridin-7-one?
8-ethyl-2-(ethylamino)-4-methylpteridin-7-one has a molecular weight of 233.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(ethylamino)-4-methylpteridin-7-one is sourced from PubChem (CID 171384108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).