3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol

C10H19N3O2 — CID 153372112

IUPAC3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol
SMILESCC(C)(C)c1cc(N)c(N)c(=O)[nH]1.CO
InChIInChI=1S/C9H15N3O.CH4O/c1-9(2,3)6-4-5(10)7(11)8(13)12-6;1-2/h4H,11H2,1-3H3,(H3,10,12,13);2H,1H3
InChIKeyCOXIKDQXSJZFFP-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.45
Rot. Bonds

About 3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol

3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol (PubChem CID 153372112) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol.

Molecular Properties

Compound Name3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol
PubChem CID153372112
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol
SMILESCC(C)(C)c1cc(N)c(N)c(=O)[nH]1.CO
InChIInChI=1S/C9H15N3O.CH4O/c1-9(2,3)6-4-5(10)7(11)8(13)12-6;1-2/h4H,11H2,1-3H3,(H3,10,12,13);2H,1H3
InChIKeyCOXIKDQXSJZFFP-UHFFFAOYSA-N
XLogP0.45
TPSA105.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol?
The IUPAC name of 3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol (CID 153372112) is 3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol.
What is the SMILES notation for 3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol?
The canonical SMILES for 3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol is CC(C)(C)c1cc(N)c(N)c(=O)[nH]1.CO.
What is the InChIKey of 3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol?
The InChIKey is COXIKDQXSJZFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.CH4O/c1-9(2,3)6-4-5(10)7(11)8(13)12-6;1-2/h4H,11H2,1-3H3,(H3,10,12,13);2H,1H3.
What are the key properties of 3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol?
3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol has a molecular weight of 213.28 g/mol, XLogP of 0.45, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-6-tert-butyl-1H-pyridin-2-one;methanol is sourced from PubChem (CID 153372112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).