6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile

C10H14N4O — CID 118036473

IUPAC6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
SMILESCOCC(C)Nc1cc(N)ncc1C#N
InChIInChI=1S/C10H14N4O/c1-7(6-15-2)14-9-3-10(12)13-5-8(9)4-11/h3,5,7H,6H2,1-2H3,(H3,12,13,14)
InChIKeyCHLYRZWEQVNWCG-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.98
Rot. Bonds4

About 6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile

6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 118036473) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
PubChem CID118036473
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
SMILESCOCC(C)Nc1cc(N)ncc1C#N
InChIInChI=1S/C10H14N4O/c1-7(6-15-2)14-9-3-10(12)13-5-8(9)4-11/h3,5,7H,6H2,1-2H3,(H3,12,13,14)
InChIKeyCHLYRZWEQVNWCG-UHFFFAOYSA-N
XLogP0.98
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate
CID 175225504
6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile
CID 118036603
4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 130810747
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
2-N-(1-methoxypropan-2-yl)pyrazine-2,5-diamine
CID 80652455
4-amino-3-(1-methoxypropan-2-ylamino)benzonitrile
CID 104711374
6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile
CID 118037495
2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine
CID 61147534
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile
CID 94473129
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
3-(1-methoxypropan-2-ylamino)-4-nitrobenzonitrile
CID 104713416

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile (CID 118036473) is 6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile is COCC(C)Nc1cc(N)ncc1C#N.
What is the InChIKey of 6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is CHLYRZWEQVNWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(6-15-2)14-9-3-10(12)13-5-8(9)4-11/h3,5,7H,6H2,1-2H3,(H3,12,13,14).
What are the key properties of 6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile?
6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 118036473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).