2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

C10H17N5O — CID 135401456

IUPAC2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC1Nc2nc(N(C)C)[nH]c(=O)c2NC1C
InChIInChI=1S/C10H17N5O/c1-5-6(2)12-8-7(11-5)9(16)14-10(13-8)15(3)4/h5-6,11H,1-4H3,(H2,12,13,14,16)
InChIKeyAJYOESSYMNNERE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds1

About 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135401456) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135401456
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC1Nc2nc(N(C)C)[nH]c(=O)c2NC1C
InChIInChI=1S/C10H17N5O/c1-5-6(2)12-8-7(11-5)9(16)14-10(13-8)15(3)4/h5-6,11H,1-4H3,(H2,12,13,14,16)
InChIKeyAJYOESSYMNNERE-UHFFFAOYSA-N
XLogP0.45
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135401456) is 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is CC1Nc2nc(N(C)C)[nH]c(=O)c2NC1C.
What is the InChIKey of 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is AJYOESSYMNNERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-5-6(2)12-8-7(11-5)9(16)14-10(13-8)15(3)4/h5-6,11H,1-4H3,(H2,12,13,14,16).
What are the key properties of 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135401456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).