3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine

C10H17N3O — CID 67536360

IUPAC3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine
SMILESCNc1ncc(N)cc1[C@H](C)COC
InChIInChI=1S/C10H17N3O/c1-7(6-14-3)9-4-8(11)5-13-10(9)12-2/h4-5,7H,6,11H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyWCKJJDALHYJULA-SSDOTTSWSA-N
MW195.27 g/mol
LogP1.46
Rot. Bonds4

About 3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine

3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine (PubChem CID 67536360) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine
PubChem CID67536360
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine
SMILESCNc1ncc(N)cc1[C@H](C)COC
InChIInChI=1S/C10H17N3O/c1-7(6-14-3)9-4-8(11)5-13-10(9)12-2/h4-5,7H,6,11H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyWCKJJDALHYJULA-SSDOTTSWSA-N
XLogP1.46
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine?
The IUPAC name of 3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine (CID 67536360) is 3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine?
The canonical SMILES for 3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine is CNc1ncc(N)cc1[C@H](C)COC.
What is the InChIKey of 3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine?
The InChIKey is WCKJJDALHYJULA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(6-14-3)9-4-8(11)5-13-10(9)12-2/h4-5,7H,6,11H2,1-3H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine?
3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methoxypropan-2-yl]-2-N-methylpyridine-2,5-diamine is sourced from PubChem (CID 67536360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).