2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine

C12H22N4O — CID 113284026

IUPAC2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
SMILESCOc1cc(NC(C)(CN)C(C)C)nc(C)n1
InChIInChI=1S/C12H22N4O/c1-8(2)12(4,7-13)16-10-6-11(17-5)15-9(3)14-10/h6,8H,7,13H2,1-5H3,(H,14,15,16)
InChIKeyFVUXKTHJPLKWOM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.58
Rot. Bonds5

About 2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine

2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine (PubChem CID 113284026) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
PubChem CID113284026
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
SMILESCOc1cc(NC(C)(CN)C(C)C)nc(C)n1
InChIInChI=1S/C12H22N4O/c1-8(2)12(4,7-13)16-10-6-11(17-5)15-9(3)14-10/h6,8H,7,13H2,1-5H3,(H,14,15,16)
InChIKeyFVUXKTHJPLKWOM-UHFFFAOYSA-N
XLogP1.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(6-ethyl-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284109
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66325089
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 114942912
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456
6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 66324648
N-(6-methoxy-2-methylpyrimidin-4-yl)-2-propylbutane-1,4-diamine
CID 106116587
N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331236

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine (CID 113284026) is 2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine is COc1cc(NC(C)(CN)C(C)C)nc(C)n1.
What is the InChIKey of 2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine?
The InChIKey is FVUXKTHJPLKWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)12(4,7-13)16-10-6-11(17-5)15-9(3)14-10/h6,8H,7,13H2,1-5H3,(H,14,15,16).
What are the key properties of 2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine?
2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-methoxy-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 113284026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).