4-piperidin-1-yl-6-propylpyrimidin-2-amine

C12H20N4 — CID 172740401

IUPAC4-piperidin-1-yl-6-propylpyrimidin-2-amine
SMILESCCCc1cc(N2CCCCC2)nc(N)n1
InChIInChI=1S/C12H20N4/c1-2-6-10-9-11(15-12(13)14-10)16-7-4-3-5-8-16/h9H,2-8H2,1H3,(H2,13,14,15)
InChIKeyJADRLDKIRHDTDJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds3

About 4-piperidin-1-yl-6-propylpyrimidin-2-amine

4-piperidin-1-yl-6-propylpyrimidin-2-amine (PubChem CID 172740401) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-propylpyrimidin-2-amine
PubChem CID172740401
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-piperidin-1-yl-6-propylpyrimidin-2-amine
SMILESCCCc1cc(N2CCCCC2)nc(N)n1
InChIInChI=1S/C12H20N4/c1-2-6-10-9-11(15-12(13)14-10)16-7-4-3-5-8-16/h9H,2-8H2,1H3,(H2,13,14,15)
InChIKeyJADRLDKIRHDTDJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-propylpyrimidin-2-amine?
The IUPAC name of 4-piperidin-1-yl-6-propylpyrimidin-2-amine (CID 172740401) is 4-piperidin-1-yl-6-propylpyrimidin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-6-propylpyrimidin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-6-propylpyrimidin-2-amine is CCCc1cc(N2CCCCC2)nc(N)n1.
What is the InChIKey of 4-piperidin-1-yl-6-propylpyrimidin-2-amine?
The InChIKey is JADRLDKIRHDTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-6-10-9-11(15-12(13)14-10)16-7-4-3-5-8-16/h9H,2-8H2,1H3,(H2,13,14,15).
What are the key properties of 4-piperidin-1-yl-6-propylpyrimidin-2-amine?
4-piperidin-1-yl-6-propylpyrimidin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-propylpyrimidin-2-amine is sourced from PubChem (CID 172740401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).