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

C11H20N4O — CID 112634830

IUPACN'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1nc(C)cc(OCC)n1
InChIInChI=1S/C11H20N4O/c1-4-12-6-7-13-11-14-9(3)8-10(15-11)16-5-2/h8,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyBWBMDBWQGZXGSM-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.21
Rot. Bonds7

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

N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine (PubChem CID 112634830) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
PubChem CID112634830
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1nc(C)cc(OCC)n1
InChIInChI=1S/C11H20N4O/c1-4-12-6-7-13-11-14-9(3)8-10(15-11)16-5-2/h8,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyBWBMDBWQGZXGSM-UHFFFAOYSA-N
XLogP1.21
TPSA59.07 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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
4-ethoxy-6-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 5066040
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 114127734
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
CID 106325959
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 112635403
4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489048
4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 103007614
N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115975050

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine (CID 112634830) is N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine is CCNCCNc1nc(C)cc(OCC)n1.
What is the InChIKey of N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine?
The InChIKey is BWBMDBWQGZXGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-12-6-7-13-11-14-9(3)8-10(15-11)16-5-2/h8,12H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine?
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.21, 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)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 112634830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).