2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine

C12H19N3O3 — CID 58001800

IUPAC2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC2COC(C)(C)OC2)n1
InChIInChI=1S/C12H19N3O3/c1-12(2)17-6-8(7-18-12)14-11-9(13)4-5-10(15-11)16-3/h4-5,8H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyWZSHORLEUSNQNO-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.24
Rot. Bonds3

About 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine

2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine (PubChem CID 58001800) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine
PubChem CID58001800
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC2COC(C)(C)OC2)n1
InChIInChI=1S/C12H19N3O3/c1-12(2)17-6-8(7-18-12)14-11-9(13)4-5-10(15-11)16-3/h4-5,8H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyWZSHORLEUSNQNO-UHFFFAOYSA-N
XLogP1.24
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine (CID 58001800) is 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine is COc1ccc(N)c(NC2COC(C)(C)OC2)n1.
What is the InChIKey of 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine?
The InChIKey is WZSHORLEUSNQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2)17-6-8(7-18-12)14-11-9(13)4-5-10(15-11)16-3/h4-5,8H,6-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine?
2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine has a molecular weight of 253.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 58001800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).