2-amino-1-(methylamino)-2,3-dihydropteridin-4-one

C7H10N6O — CID 141496600

IUPAC2-amino-1-(methylamino)-2,3-dihydropteridin-4-one
SMILESCNN1c2nccnc2C(=O)NC1N
InChIInChI=1S/C7H10N6O/c1-9-13-5-4(10-2-3-11-5)6(14)12-7(13)8/h2-3,7,9H,8H2,1H3,(H,12,14)
InChIKeyAAOYAOILHHFRAY-UHFFFAOYSA-N
MW194.20 g/mol
LogP-1.60
Rot. Bonds1

About 2-amino-1-(methylamino)-2,3-dihydropteridin-4-one

2-amino-1-(methylamino)-2,3-dihydropteridin-4-one (PubChem CID 141496600) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-amino-1-(methylamino)-2,3-dihydropteridin-4-one.

Molecular Properties

Compound Name2-amino-1-(methylamino)-2,3-dihydropteridin-4-one
PubChem CID141496600
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2-amino-1-(methylamino)-2,3-dihydropteridin-4-one
SMILESCNN1c2nccnc2C(=O)NC1N
InChIInChI=1S/C7H10N6O/c1-9-13-5-4(10-2-3-11-5)6(14)12-7(13)8/h2-3,7,9H,8H2,1H3,(H,12,14)
InChIKeyAAOYAOILHHFRAY-UHFFFAOYSA-N
XLogP-1.60
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 54150985
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CID 130314087
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CID 166497205
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CID 118985221
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CID 62927962

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(methylamino)-2,3-dihydropteridin-4-one?
The IUPAC name of 2-amino-1-(methylamino)-2,3-dihydropteridin-4-one (CID 141496600) is 2-amino-1-(methylamino)-2,3-dihydropteridin-4-one.
What is the SMILES notation for 2-amino-1-(methylamino)-2,3-dihydropteridin-4-one?
The canonical SMILES for 2-amino-1-(methylamino)-2,3-dihydropteridin-4-one is CNN1c2nccnc2C(=O)NC1N.
What is the InChIKey of 2-amino-1-(methylamino)-2,3-dihydropteridin-4-one?
The InChIKey is AAOYAOILHHFRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-9-13-5-4(10-2-3-11-5)6(14)12-7(13)8/h2-3,7,9H,8H2,1H3,(H,12,14).
What are the key properties of 2-amino-1-(methylamino)-2,3-dihydropteridin-4-one?
2-amino-1-(methylamino)-2,3-dihydropteridin-4-one has a molecular weight of 194.20 g/mol, XLogP of -1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(methylamino)-2,3-dihydropteridin-4-one is sourced from PubChem (CID 141496600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).