2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone

C11H15N3O — CID 130913857

IUPAC2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone
SMILESCc1cnc(N)c(C(=O)C(N)C2CC2)c1
InChIInChI=1S/C11H15N3O/c1-6-4-8(11(13)14-5-6)10(15)9(12)7-2-3-7/h4-5,7,9H,2-3,12H2,1H3,(H2,13,14)
InChIKeyVYSLBMJFDSUUCJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.89
Rot. Bonds3

About 2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone

2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone (PubChem CID 130913857) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone.

Molecular Properties

Compound Name2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone
PubChem CID130913857
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone
SMILESCc1cnc(N)c(C(=O)C(N)C2CC2)c1
InChIInChI=1S/C11H15N3O/c1-6-4-8(11(13)14-5-6)10(15)9(12)7-2-3-7/h4-5,7,9H,2-3,12H2,1H3,(H2,13,14)
InChIKeyVYSLBMJFDSUUCJ-UHFFFAOYSA-N
XLogP0.89
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116574050
1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one
CID 116709569
(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925462
(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone
CID 116583846
3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
CID 116567110
1-(2-amino-5-methyl-3-pyridinyl)-2-piperidin-4-ylethanone
CID 116560007
4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116596708
3-(1-amino-2-cyclopropylethyl)-5-methylpyridin-2-amine
CID 55295743
1-[4-(2-amino-5-methylpyridine-3-carbonyl)piperidin-1-yl]-2-methylprop-2-en-1-one
CID 95857772
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572944
(2-amino-5-methyl-3-pyridinyl)-morpholin-3-ylmethanone
CID 116576396

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone?
The IUPAC name of 2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone (CID 130913857) is 2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone.
What is the SMILES notation for 2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone?
The canonical SMILES for 2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone is Cc1cnc(N)c(C(=O)C(N)C2CC2)c1.
What is the InChIKey of 2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone?
The InChIKey is VYSLBMJFDSUUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6-4-8(11(13)14-5-6)10(15)9(12)7-2-3-7/h4-5,7,9H,2-3,12H2,1H3,(H2,13,14).
What are the key properties of 2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone?
2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone has a molecular weight of 205.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone is sourced from PubChem (CID 130913857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).