4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine

C11H18N4O — CID 80798046

IUPAC4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
SMILESCCOC1CCN(c2ccnc(N)n2)CC1
InChIInChI=1S/C11H18N4O/c1-2-16-9-4-7-15(8-5-9)10-3-6-13-11(12)14-10/h3,6,9H,2,4-5,7-8H2,1H3,(H2,12,13,14)
InChIKeyTXPFTSMTDWTHHA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.06
Rot. Bonds3

About 4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine

4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine (PubChem CID 80798046) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
PubChem CID80798046
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
SMILESCCOC1CCN(c2ccnc(N)n2)CC1
InChIInChI=1S/C11H18N4O/c1-2-16-9-4-7-15(8-5-9)10-3-6-13-11(12)14-10/h3,6,9H,2,4-5,7-8H2,1H3,(H2,12,13,14)
InChIKeyTXPFTSMTDWTHHA-UHFFFAOYSA-N
XLogP1.06
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
CID 133298308
4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
CID 103541763
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80827694
4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80845282
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61257242
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
4-[4-[(3R)-3-ethoxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395803
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide
CID 64589226

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine (CID 80798046) is 4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine is CCOC1CCN(c2ccnc(N)n2)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is TXPFTSMTDWTHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-16-9-4-7-15(8-5-9)10-3-6-13-11(12)14-10/h3,6,9H,2,4-5,7-8H2,1H3,(H2,12,13,14).
What are the key properties of 4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine?
4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80798046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).