2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one

C10H15N3O2 — CID 116593978

IUPAC2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1c(C)ccnc1N
InChIInChI=1S/C10H15N3O2/c1-6-3-4-13-10(12)8(6)9(14)7(11)5-15-2/h3-4,7H,5,11H2,1-2H3,(H2,12,13)
InChIKeyKNGWTWDJWFZCTN-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.13
Rot. Bonds4

About 2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one

2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one (PubChem CID 116593978) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one
PubChem CID116593978
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1c(C)ccnc1N
InChIInChI=1S/C10H15N3O2/c1-6-3-4-13-10(12)8(6)9(14)7(11)5-15-2/h3-4,7H,5,11H2,1-2H3,(H2,12,13)
InChIKeyKNGWTWDJWFZCTN-UHFFFAOYSA-N
XLogP0.13
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

Ethyl 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 12417183
1-(2-Aminopyridin-3-YL)propan-1-one
CID 29922305
Ethyl 5-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 6256218
Ethyl 2-amino-3-oxo-3-[4-(trifluoromethyl)-3-pyridinyl]propanimidate
CID 67749099
1-(-Aminopyridin-3-yl)-4-methylamino-butan-1-one
CID 116555762
4-Amino-1-(6-aminopyridin-3-yl)-butan-1-one
CID 129661540
1-(2-Amino-4-methyl-3-pyridinyl)-3,3,3-trifluoropropan-1-one
CID 64126901
2-Amino-3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709426
1-(2-Amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146769
1-(2-Amino-4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146954
1-(2-Amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103147035
1-(2-Amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103147037

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one (CID 116593978) is 2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one is COCC(N)C(=O)c1c(C)ccnc1N.
What is the InChIKey of 2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one?
The InChIKey is KNGWTWDJWFZCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-3-4-13-10(12)8(6)9(14)7(11)5-15-2/h3-4,7H,5,11H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one?
2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one has a molecular weight of 209.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one is sourced from PubChem (CID 116593978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).