[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine

C12H20N4O — CID 112638544

IUPAC[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
SMILESCCOc1ccnc(N2CCCCC2CN)n1
InChIInChI=1S/C12H20N4O/c1-2-17-11-6-7-14-12(15-11)16-8-4-3-5-10(16)9-13/h6-7,10H,2-5,8-9,13H2,1H3
InChIKeyDHQQAKWBZFWLAX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.19
Rot. Bonds4

About [1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine

[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine (PubChem CID 112638544) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
PubChem CID112638544
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
SMILESCCOc1ccnc(N2CCCCC2CN)n1
InChIInChI=1S/C12H20N4O/c1-2-17-11-6-7-14-12(15-11)16-8-4-3-5-10(16)9-13/h6-7,10H,2-5,8-9,13H2,1H3
InChIKeyDHQQAKWBZFWLAX-UHFFFAOYSA-N
XLogP1.19
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine (CID 112638544) is [1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine is CCOc1ccnc(N2CCCCC2CN)n1.
What is the InChIKey of [1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine?
The InChIKey is DHQQAKWBZFWLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-17-11-6-7-14-12(15-11)16-8-4-3-5-10(16)9-13/h6-7,10H,2-5,8-9,13H2,1H3.
What are the key properties of [1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine?
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 112638544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).