N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine

C11H20N4O — CID 66333180

IUPACN-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
SMILESCCOc1cc(NCC(C)CCN)ncn1
InChIInChI=1S/C11H20N4O/c1-3-16-11-6-10(14-8-15-11)13-7-9(2)4-5-12/h6,8-9H,3-5,7,12H2,1-2H3,(H,13,14,15)
InChIKeyHCCMPJIZWSNHTN-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.27
Rot. Bonds7

About N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine

N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine (PubChem CID 66333180) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
PubChem CID66333180
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
SMILESCCOc1cc(NCC(C)CCN)ncn1
InChIInChI=1S/C11H20N4O/c1-3-16-11-6-10(14-8-15-11)13-7-9(2)4-5-12/h6,8-9H,3-5,7,12H2,1-2H3,(H,13,14,15)
InChIKeyHCCMPJIZWSNHTN-UHFFFAOYSA-N
XLogP1.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6-ethoxypyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66319691
N-(6-ethoxypyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303214
6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 66325707
3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
CID 66331778
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 112635894
3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 66327238
2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
CID 66107458
6-methoxy-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 66325791
6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 66328442
6-ethoxy-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 104917819
2-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474919
6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66330763

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine (CID 66333180) is N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine is CCOc1cc(NCC(C)CCN)ncn1.
What is the InChIKey of N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine?
The InChIKey is HCCMPJIZWSNHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-16-11-6-10(14-8-15-11)13-7-9(2)4-5-12/h6,8-9H,3-5,7,12H2,1-2H3,(H,13,14,15).
What are the key properties of N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine?
N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 66333180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).