1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine

C13H22N4O — CID 112635064

IUPAC1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine
SMILESCCOc1cc(C)nc(N2CC(C)CC(N)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-18-12-6-10(3)15-13(16-12)17-7-9(2)5-11(14)8-17/h6,9,11H,4-5,7-8,14H2,1-3H3
InChIKeyHKFRONMBWXFVBH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds3

About 1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine

1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine (PubChem CID 112635064) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine
PubChem CID112635064
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine
SMILESCCOc1cc(C)nc(N2CC(C)CC(N)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-18-12-6-10(3)15-13(16-12)17-7-9(2)5-11(14)8-17/h6,9,11H,4-5,7-8,14H2,1-3H3
InChIKeyHKFRONMBWXFVBH-UHFFFAOYSA-N
XLogP1.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
CID 112634785
methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate
CID 115973720
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
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
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine
CID 95969706
N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine
CID 115973572
methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
CID 115973733
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 112635080
3-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclopentan-1-amine
CID 112635376
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine (CID 112635064) is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine is CCOc1cc(C)nc(N2CC(C)CC(N)C2)n1.
What is the InChIKey of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine?
The InChIKey is HKFRONMBWXFVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-18-12-6-10(3)15-13(16-12)17-7-9(2)5-11(14)8-17/h6,9,11H,4-5,7-8,14H2,1-3H3.
What are the key properties of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine?
1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.36, 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)-5-methylpiperidin-3-amine is sourced from PubChem (CID 112635064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).