6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine

C13H16N6O — CID 178105873

IUPAC6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine
SMILES[H]/N=C/c1c(N)nc(C)nc1O[C@@H](C)c1cccnc1N
InChIInChI=1S/C13H16N6O/c1-7(9-4-3-5-17-11(9)15)20-13-10(6-14)12(16)18-8(2)19-13/h3-7,14H,1-2H3,(H2,15,17)(H2,16,18,19)/b14-6+/t7-/m0/s1
InChIKeyVPCVTISHUUTAIA-GYXDYACRSA-N
MW272.31 g/mol
LogP1.48
Rot. Bonds4

About 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine

6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine (PubChem CID 178105873) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine
PubChem CID178105873
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine
SMILES[H]/N=C/c1c(N)nc(C)nc1O[C@@H](C)c1cccnc1N
InChIInChI=1S/C13H16N6O/c1-7(9-4-3-5-17-11(9)15)20-13-10(6-14)12(16)18-8(2)19-13/h3-7,14H,1-2H3,(H2,15,17)(H2,16,18,19)/b14-6+/t7-/m0/s1
InChIKeyVPCVTISHUUTAIA-GYXDYACRSA-N
XLogP1.48
TPSA123.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine with MolForge

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Related Compounds

3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine
CID 143517698
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine
CID 79492532
3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine
CID 176664499
4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine
CID 178105577
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen
CID 143716531
methoxymethane;3-methylpyridin-2-amine
CID 142348172
3-[1-[ethenyl(methyl)amino]ethyl]pyridin-2-amine
CID 176568611
(2-methyl-6-propan-2-ylphenyl)methanimine
CID 130224626
3-(1-amino-2-methoxybutyl)pyridin-2-amine
CID 116715178
3-(1-hydrazinyl-2-methoxypropyl)pyridin-2-amine
CID 105246942

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine (CID 178105873) is 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine is [H]/N=C/c1c(N)nc(C)nc1O[C@@H](C)c1cccnc1N.
What is the InChIKey of 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine?
The InChIKey is VPCVTISHUUTAIA-GYXDYACRSA-N. The full InChI is InChI=1S/C13H16N6O/c1-7(9-4-3-5-17-11(9)15)20-13-10(6-14)12(16)18-8(2)19-13/h3-7,14H,1-2H3,(H2,15,17)(H2,16,18,19)/b14-6+/t7-/m0/s1.
What are the key properties of 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine?
6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-(2-amino-3-pyridinyl)ethoxy]-5-methanimidoyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 178105873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).