4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine

C20H28N4 — CID 70779671

IUPAC4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCCN(CCCc3ccccc3)C2)n1
InChIInChI=1S/C20H28N4/c1-16-14-17(2)22-20(21-16)23-19-11-7-13-24(15-19)12-6-10-18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3,(H,21,22,23)
InChIKeyHLEZDSUPURBVTL-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.60
Rot. Bonds6

About 4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine

4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 70779671) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID70779671
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCCN(CCCc3ccccc3)C2)n1
InChIInChI=1S/C20H28N4/c1-16-14-17(2)22-20(21-16)23-19-11-7-13-24(15-19)12-6-10-18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3,(H,21,22,23)
InChIKeyHLEZDSUPURBVTL-UHFFFAOYSA-N
XLogP3.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine (CID 70779671) is 4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine is Cc1cc(C)nc(NC2CCCN(CCCc3ccccc3)C2)n1.
What is the InChIKey of 4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is HLEZDSUPURBVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-16-14-17(2)22-20(21-16)23-19-11-7-13-24(15-19)12-6-10-18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3,(H,21,22,23).
What are the key properties of 4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine?
4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 324.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 70779671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).