3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine

C12H22N4O2 — CID 106154692

IUPAC3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine
SMILESCCOc1cc(NC(CCN)COC)nc(C)n1
InChIInChI=1S/C12H22N4O2/c1-4-18-12-7-11(14-9(2)15-12)16-10(5-6-13)8-17-3/h7,10H,4-6,8,13H2,1-3H3,(H,14,15,16)
InChIKeyOJNRSMCYOZJBGV-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.96
Rot. Bonds8

About 3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine

3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine (PubChem CID 106154692) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine
PubChem CID106154692
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine
SMILESCCOc1cc(NC(CCN)COC)nc(C)n1
InChIInChI=1S/C12H22N4O2/c1-4-18-12-7-11(14-9(2)15-12)16-10(5-6-13)8-17-3/h7,10H,4-6,8,13H2,1-3H3,(H,14,15,16)
InChIKeyOJNRSMCYOZJBGV-UHFFFAOYSA-N
XLogP0.96
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
CID 106026606
N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66331918
N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 106181967
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
CID 106181686
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 66327344
4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine
CID 114151042
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
6-(2-aminoethoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 121206106
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851
4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 103703344
4-methoxy-3-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,3-diamine
CID 106154565
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 66325658

Frequently Asked Questions

What is the IUPAC name of 3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine?
The IUPAC name of 3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine (CID 106154692) is 3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine.
What is the SMILES notation for 3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine?
The canonical SMILES for 3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine is CCOc1cc(NC(CCN)COC)nc(C)n1.
What is the InChIKey of 3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine?
The InChIKey is OJNRSMCYOZJBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-18-12-7-11(14-9(2)15-12)16-10(5-6-13)8-17-3/h7,10H,4-6,8,13H2,1-3H3,(H,14,15,16).
What are the key properties of 3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine?
3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine has a molecular weight of 254.33 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine is sourced from PubChem (CID 106154692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).