1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine

C12H20N4 — CID 83838028

IUPAC1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
SMILESCC(C)c1ccnc(N2CCCC(N)C2)n1
InChIInChI=1S/C12H20N4/c1-9(2)11-5-6-14-12(15-11)16-7-3-4-10(13)8-16/h5-6,9-10H,3-4,7-8,13H2,1-2H3
InChIKeyOYIOLPAIUMIQMC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.53
Rot. Bonds2

About 1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine

1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine (PubChem CID 83838028) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
PubChem CID83838028
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
SMILESCC(C)c1ccnc(N2CCCC(N)C2)n1
InChIInChI=1S/C12H20N4/c1-9(2)11-5-6-14-12(15-11)16-7-3-4-10(13)8-16/h5-6,9-10H,3-4,7-8,13H2,1-2H3
InChIKeyOYIOLPAIUMIQMC-UHFFFAOYSA-N
XLogP1.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine?
The IUPAC name of 1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine (CID 83838028) is 1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine?
The canonical SMILES for 1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine is CC(C)c1ccnc(N2CCCC(N)C2)n1.
What is the InChIKey of 1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine?
The InChIKey is OYIOLPAIUMIQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)11-5-6-14-12(15-11)16-7-3-4-10(13)8-16/h5-6,9-10H,3-4,7-8,13H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine?
1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine is sourced from PubChem (CID 83838028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).