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

C12H22N4O — CID 66324853

IUPAC1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCOc1cc(NCC(C)N(C)C)nc(C)n1
InChIInChI=1S/C12H22N4O/c1-6-17-12-7-11(14-10(3)15-12)13-8-9(2)16(4)5/h7,9H,6,8H2,1-5H3,(H,13,14,15)
InChIKeyIWDBOCJUZZVWAE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.55
Rot. Bonds6

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

1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 66324853) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID66324853
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCOc1cc(NCC(C)N(C)C)nc(C)n1
InChIInChI=1S/C12H22N4O/c1-6-17-12-7-11(14-10(3)15-12)13-8-9(2)16(4)5/h7,9H,6,8H2,1-5H3,(H,13,14,15)
InChIKeyIWDBOCJUZZVWAE-UHFFFAOYSA-N
XLogP1.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 66324853) is 1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine is CCOc1cc(NCC(C)N(C)C)nc(C)n1.
What is the InChIKey of 1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is IWDBOCJUZZVWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-6-17-12-7-11(14-10(3)15-12)13-8-9(2)16(4)5/h7,9H,6,8H2,1-5H3,(H,13,14,15).
What are the key properties of 1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 66324853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).