6-methyl-5-propan-2-yloxypyridine-2,3-diamine

C9H15N3O — CID 130057867

IUPAC6-methyl-5-propan-2-yloxypyridine-2,3-diamine
SMILESCc1nc(N)c(N)cc1OC(C)C
InChIInChI=1S/C9H15N3O/c1-5(2)13-8-4-7(10)9(11)12-6(8)3/h4-5H,10H2,1-3H3,(H2,11,12)
InChIKeyQZRLYVLJTPVIHC-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.34
Rot. Bonds2

About 6-methyl-5-propan-2-yloxypyridine-2,3-diamine

6-methyl-5-propan-2-yloxypyridine-2,3-diamine (PubChem CID 130057867) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yloxypyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-5-propan-2-yloxypyridine-2,3-diamine
PubChem CID130057867
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-methyl-5-propan-2-yloxypyridine-2,3-diamine
SMILESCc1nc(N)c(N)cc1OC(C)C
InChIInChI=1S/C9H15N3O/c1-5(2)13-8-4-7(10)9(11)12-6(8)3/h4-5H,10H2,1-3H3,(H2,11,12)
InChIKeyQZRLYVLJTPVIHC-UHFFFAOYSA-N
XLogP1.34
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-yloxypyridine-2,3-diamine?
The IUPAC name of 6-methyl-5-propan-2-yloxypyridine-2,3-diamine (CID 130057867) is 6-methyl-5-propan-2-yloxypyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-5-propan-2-yloxypyridine-2,3-diamine?
The canonical SMILES for 6-methyl-5-propan-2-yloxypyridine-2,3-diamine is Cc1nc(N)c(N)cc1OC(C)C.
What is the InChIKey of 6-methyl-5-propan-2-yloxypyridine-2,3-diamine?
The InChIKey is QZRLYVLJTPVIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5(2)13-8-4-7(10)9(11)12-6(8)3/h4-5H,10H2,1-3H3,(H2,11,12).
What are the key properties of 6-methyl-5-propan-2-yloxypyridine-2,3-diamine?
6-methyl-5-propan-2-yloxypyridine-2,3-diamine has a molecular weight of 181.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yloxypyridine-2,3-diamine is sourced from PubChem (CID 130057867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).