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

C12H22N4O — CID 112635894

IUPACN-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine
SMILESCCOc1cc(C)nc(NCC(C)CCN)n1
InChIInChI=1S/C12H22N4O/c1-4-17-11-7-10(3)15-12(16-11)14-8-9(2)5-6-13/h7,9H,4-6,8,13H2,1-3H3,(H,14,15,16)
InChIKeyCRQHUONBGAUXMZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.58
Rot. Bonds7

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

N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine (PubChem CID 112635894) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine
PubChem CID112635894
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine
SMILESCCOc1cc(C)nc(NCC(C)CCN)n1
InChIInChI=1S/C12H22N4O/c1-4-17-11-7-10(3)15-12(16-11)14-8-9(2)5-6-13/h7,9H,4-6,8,13H2,1-3H3,(H,14,15,16)
InChIKeyCRQHUONBGAUXMZ-UHFFFAOYSA-N
XLogP1.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
CID 66333180
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol
CID 112634963
4,6-dimethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 62694170
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 114982569
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine
CID 115975019

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine (CID 112635894) is N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine is CCOc1cc(C)nc(NCC(C)CCN)n1.
What is the InChIKey of N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine?
The InChIKey is CRQHUONBGAUXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-17-11-7-10(3)15-12(16-11)14-8-9(2)5-6-13/h7,9H,4-6,8,13H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine?
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 112635894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).