1-(4-propylpyrimidin-2-yl)piperidin-4-amine

C12H20N4 — CID 117224317

IUPAC1-(4-propylpyrimidin-2-yl)piperidin-4-amine
SMILESCCCc1ccnc(N2CCC(N)CC2)n1
InChIInChI=1S/C12H20N4/c1-2-3-11-4-7-14-12(15-11)16-8-5-10(13)6-9-16/h4,7,10H,2-3,5-6,8-9,13H2,1H3
InChIKeyDQSJPKWQHVSCLZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.36
Rot. Bonds3

About 1-(4-propylpyrimidin-2-yl)piperidin-4-amine

1-(4-propylpyrimidin-2-yl)piperidin-4-amine (PubChem CID 117224317) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-propylpyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-propylpyrimidin-2-yl)piperidin-4-amine
PubChem CID117224317
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(4-propylpyrimidin-2-yl)piperidin-4-amine
SMILESCCCc1ccnc(N2CCC(N)CC2)n1
InChIInChI=1S/C12H20N4/c1-2-3-11-4-7-14-12(15-11)16-8-5-10(13)6-9-16/h4,7,10H,2-3,5-6,8-9,13H2,1H3
InChIKeyDQSJPKWQHVSCLZ-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of 1-(4-propylpyrimidin-2-yl)piperidin-4-amine (CID 117224317) is 1-(4-propylpyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(4-propylpyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(4-propylpyrimidin-2-yl)piperidin-4-amine is CCCc1ccnc(N2CCC(N)CC2)n1.
What is the InChIKey of 1-(4-propylpyrimidin-2-yl)piperidin-4-amine?
The InChIKey is DQSJPKWQHVSCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-3-11-4-7-14-12(15-11)16-8-5-10(13)6-9-16/h4,7,10H,2-3,5-6,8-9,13H2,1H3.
What are the key properties of 1-(4-propylpyrimidin-2-yl)piperidin-4-amine?
1-(4-propylpyrimidin-2-yl)piperidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 117224317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).