2-amino-4-(dimethylamino)-8H-pteridin-7-one

C8H10N6O — CID 159756157

IUPAC2-amino-4-(dimethylamino)-8H-pteridin-7-one
SMILESCN(C)c1nc(N)nc2[nH]c(=O)cnc12
InChIInChI=1S/C8H10N6O/c1-14(2)7-5-6(12-8(9)13-7)11-4(15)3-10-5/h3H,1-2H3,(H3,9,11,12,13,15)
InChIKeyNEHGKVAXCOQJTM-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.64
Rot. Bonds1

About 2-amino-4-(dimethylamino)-8H-pteridin-7-one

2-amino-4-(dimethylamino)-8H-pteridin-7-one (PubChem CID 159756157) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-8H-pteridin-7-one.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-8H-pteridin-7-one
PubChem CID159756157
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-amino-4-(dimethylamino)-8H-pteridin-7-one
SMILESCN(C)c1nc(N)nc2[nH]c(=O)cnc12
InChIInChI=1S/C8H10N6O/c1-14(2)7-5-6(12-8(9)13-7)11-4(15)3-10-5/h3H,1-2H3,(H3,9,11,12,13,15)
InChIKeyNEHGKVAXCOQJTM-UHFFFAOYSA-N
XLogP-0.64
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-8H-pteridin-7-one?
The IUPAC name of 2-amino-4-(dimethylamino)-8H-pteridin-7-one (CID 159756157) is 2-amino-4-(dimethylamino)-8H-pteridin-7-one.
What is the SMILES notation for 2-amino-4-(dimethylamino)-8H-pteridin-7-one?
The canonical SMILES for 2-amino-4-(dimethylamino)-8H-pteridin-7-one is CN(C)c1nc(N)nc2[nH]c(=O)cnc12.
What is the InChIKey of 2-amino-4-(dimethylamino)-8H-pteridin-7-one?
The InChIKey is NEHGKVAXCOQJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-14(2)7-5-6(12-8(9)13-7)11-4(15)3-10-5/h3H,1-2H3,(H3,9,11,12,13,15).
What are the key properties of 2-amino-4-(dimethylamino)-8H-pteridin-7-one?
2-amino-4-(dimethylamino)-8H-pteridin-7-one has a molecular weight of 206.21 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)-8H-pteridin-7-one is sourced from PubChem (CID 159756157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).