N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine

C16H28N4 — CID 51594519

IUPACN-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCCc1ncc(CN(C)C2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C16H28N4/c1-5-16-17-10-14(11-18-16)12-19(4)15-6-8-20(9-7-15)13(2)3/h10-11,13,15H,5-9,12H2,1-4H3
InChIKeyXZCPCJAFUWGDBD-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.34
Rot. Bonds5

About N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine

N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 51594519) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
PubChem CID51594519
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCCc1ncc(CN(C)C2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C16H28N4/c1-5-16-17-10-14(11-18-16)12-19(4)15-6-8-20(9-7-15)13(2)3/h10-11,13,15H,5-9,12H2,1-4H3
InChIKeyXZCPCJAFUWGDBD-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine (CID 51594519) is N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine is CCc1ncc(CN(C)C2CCN(C(C)C)CC2)cn1.
What is the InChIKey of N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is XZCPCJAFUWGDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-16-17-10-14(11-18-16)12-19(4)15-6-8-20(9-7-15)13(2)3/h10-11,13,15H,5-9,12H2,1-4H3.
What are the key properties of N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 51594519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).