2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine

C12H22N4O — CID 112634927

IUPAC2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine
SMILESCCC(CC)(CN)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C12H22N4O/c1-5-12(6-2,8-13)16-11-14-9(3)7-10(15-11)17-4/h7H,5-6,8,13H2,1-4H3,(H,14,15,16)
InChIKeyJRHVVEOBQNYSIP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.72
Rot. Bonds6

About 2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine

2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine (PubChem CID 112634927) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine
PubChem CID112634927
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine
SMILESCCC(CC)(CN)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C12H22N4O/c1-5-12(6-2,8-13)16-11-14-9(3)7-10(15-11)17-4/h7H,5-6,8,13H2,1-4H3,(H,14,15,16)
InChIKeyJRHVVEOBQNYSIP-UHFFFAOYSA-N
XLogP1.72
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine
CID 112635108
N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635636
2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107866270
2-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbutane-1,2-diamine
CID 64549694
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide
CID 107600478
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
2-ethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
CID 63760223
3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine
CID 106165726
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 114125759
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
4-amino-3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605453
4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine
CID 115669300

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine (CID 112634927) is 2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine is CCC(CC)(CN)Nc1nc(C)cc(OC)n1.
What is the InChIKey of 2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine?
The InChIKey is JRHVVEOBQNYSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-12(6-2,8-13)16-11-14-9(3)7-10(15-11)17-4/h7H,5-6,8,13H2,1-4H3,(H,14,15,16).
What are the key properties of 2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine?
2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 112634927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).