2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine

C13H22N4 — CID 63160997

IUPAC2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine
SMILESCCC1(CC)CCN(c2ncc(N)cn2)CC1
InChIInChI=1S/C13H22N4/c1-3-13(4-2)5-7-17(8-6-13)12-15-9-11(14)10-16-12/h9-10H,3-8,14H2,1-2H3
InChIKeySNJVZZHMFSCKPQ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.47
Rot. Bonds3

About 2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine

2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 63160997) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID63160997
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine
SMILESCCC1(CC)CCN(c2ncc(N)cn2)CC1
InChIInChI=1S/C13H22N4/c1-3-13(4-2)5-7-17(8-6-13)12-15-9-11(14)10-16-12/h9-10H,3-8,14H2,1-2H3
InChIKeySNJVZZHMFSCKPQ-UHFFFAOYSA-N
XLogP2.47
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine (CID 63160997) is 2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine is CCC1(CC)CCN(c2ncc(N)cn2)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is SNJVZZHMFSCKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-13(4-2)5-7-17(8-6-13)12-15-9-11(14)10-16-12/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine?
2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 234.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 63160997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).