1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine

C12H20N4O — CID 112634785

IUPAC1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
SMILESCCOc1cc(C)nc(N2CCCC(N)C2)n1
InChIInChI=1S/C12H20N4O/c1-3-17-11-7-9(2)14-12(15-11)16-6-4-5-10(13)8-16/h7,10H,3-6,8,13H2,1-2H3
InChIKeyMDVVARJGWFPTMK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.11
Rot. Bonds3

About 1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine

1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine (PubChem CID 112634785) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
PubChem CID112634785
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
SMILESCCOc1cc(C)nc(N2CCCC(N)C2)n1
InChIInChI=1S/C12H20N4O/c1-3-17-11-7-9(2)14-12(15-11)16-6-4-5-10(13)8-16/h7,10H,3-6,8,13H2,1-2H3
InChIKeyMDVVARJGWFPTMK-UHFFFAOYSA-N
XLogP1.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine
CID 112635064
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635557
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451
1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-amine;hydrochloride
CID 71638450
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634859
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine
CID 115973572
3-[4-(4-ethoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 115973287
1-[4-(2-ethoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
CID 82191850
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 112635080

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine?
The IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine (CID 112634785) is 1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine?
The canonical SMILES for 1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine is CCOc1cc(C)nc(N2CCCC(N)C2)n1.
What is the InChIKey of 1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine?
The InChIKey is MDVVARJGWFPTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-17-11-7-9(2)14-12(15-11)16-6-4-5-10(13)8-16/h7,10H,3-6,8,13H2,1-2H3.
What are the key properties of 1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine?
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine has a molecular weight of 236.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine is sourced from PubChem (CID 112634785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).