5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile

C12H16N4O2 — CID 114169972

IUPAC5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NC2(CO)CCOCC2)c(N)c1
InChIInChI=1S/C12H16N4O2/c13-6-9-5-10(14)11(15-7-9)16-12(8-17)1-3-18-4-2-12/h5,7,17H,1-4,8,14H2,(H,15,16)
InChIKeyIESALKFWFIWSME-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.49
Rot. Bonds3

About 5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile

5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 114169972) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile
PubChem CID114169972
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NC2(CO)CCOCC2)c(N)c1
InChIInChI=1S/C12H16N4O2/c13-6-9-5-10(14)11(15-7-9)16-12(8-17)1-3-18-4-2-12/h5,7,17H,1-4,8,14H2,(H,15,16)
InChIKeyIESALKFWFIWSME-UHFFFAOYSA-N
XLogP0.49
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 103468880
[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106299315
[1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
CID 62551986
3-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]amino]benzonitrile
CID 114170315
[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
CID 106296813
[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106296826
2-amino-3-[[4-(hydroxymethyl)oxan-4-yl]amino]benzonitrile
CID 106296800
[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301168
[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301522
5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile
CID 106167287
[4-(2-aminoanilino)oxan-4-yl]methanol
CID 106296850

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile (CID 114169972) is 5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile is N#Cc1cnc(NC2(CO)CCOCC2)c(N)c1.
What is the InChIKey of 5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is IESALKFWFIWSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-6-9-5-10(14)11(15-7-9)16-12(8-17)1-3-18-4-2-12/h5,7,17H,1-4,8,14H2,(H,15,16).
What are the key properties of 5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile?
5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 114169972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).