2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine

C13H21N3O2 — CID 113481908

IUPAC2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(NC2(C)CCOC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-9(2)18-12-10(14)4-5-11(15-12)16-13(3)6-7-17-8-13/h4-5,9H,6-8,14H2,1-3H3,(H,15,16)
InChIKeyJYFQXHZJKXVMPU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds4

About 2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 113481908) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID113481908
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(NC2(C)CCOC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-9(2)18-12-10(14)4-5-11(15-12)16-13(3)6-7-17-8-13/h4-5,9H,6-8,14H2,1-3H3,(H,15,16)
InChIKeyJYFQXHZJKXVMPU-UHFFFAOYSA-N
XLogP2.04
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine
CID 114107323
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63359972
N-(3-methyloxolan-3-yl)pyrido[2,3-b]pyrazin-6-amine
CID 115766797
N-(3-methyloxolan-3-yl)-3-propan-2-yloxypyridin-2-amine
CID 113482121
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203
[4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]oxan-4-yl]methanol
CID 106296884
2-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64733639
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864556
6-propan-2-yloxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261404
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184001
4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexan-1-ol
CID 43260966

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine (CID 113481908) is 2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine is CC(C)Oc1nc(NC2(C)CCOC2)ccc1N.
What is the InChIKey of 2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is JYFQXHZJKXVMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)18-12-10(14)4-5-11(15-12)16-13(3)6-7-17-8-13/h4-5,9H,6-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 251.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 113481908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).