1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine

C14H24N4O — CID 112638675

IUPAC1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine
SMILESCC(C)Oc1ccnc(N2CCCC(C(C)N)C2)n1
InChIInChI=1S/C14H24N4O/c1-10(2)19-13-6-7-16-14(17-13)18-8-4-5-12(9-18)11(3)15/h6-7,10-12H,4-5,8-9,15H2,1-3H3
InChIKeyUQQYITIYIHRHAL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds4

About 1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine

1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine (PubChem CID 112638675) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine
PubChem CID112638675
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine
SMILESCC(C)Oc1ccnc(N2CCCC(C(C)N)C2)n1
InChIInChI=1S/C14H24N4O/c1-10(2)19-13-6-7-16-14(17-13)18-8-4-5-12(9-18)11(3)15/h6-7,10-12H,4-5,8-9,15H2,1-3H3
InChIKeyUQQYITIYIHRHAL-UHFFFAOYSA-N
XLogP1.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine
CID 112638532
2-[4-(1-bromoethyl)piperidin-1-yl]-4-propan-2-yloxypyrimidine
CID 106838630
2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 112636156
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-propan-2-yloxypyrimidine
CID 112639218
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine
CID 115975429
N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 115975402
3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
CID 112639508
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 115975643
1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine (CID 112638675) is 1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine is CC(C)Oc1ccnc(N2CCCC(C(C)N)C2)n1.
What is the InChIKey of 1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The InChIKey is UQQYITIYIHRHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)19-13-6-7-16-14(17-13)18-8-4-5-12(9-18)11(3)15/h6-7,10-12H,4-5,8-9,15H2,1-3H3.
What are the key properties of 1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 112638675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).