N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine

C15H26N4O — CID 83185179

IUPACN-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCC(OCC)CC2)nc1C
InChIInChI=1S/C15H26N4O/c1-4-16-10-13-11-17-15(18-12(13)3)19-8-6-14(7-9-19)20-5-2/h11,14,16H,4-10H2,1-3H3
InChIKeyVXNYELGEKWXIRM-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.90
Rot. Bonds6

About N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 83185179) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
PubChem CID83185179
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCC(OCC)CC2)nc1C
InChIInChI=1S/C15H26N4O/c1-4-16-10-13-11-17-15(18-12(13)3)19-8-6-14(7-9-19)20-5-2/h11,14,16H,4-10H2,1-3H3
InChIKeyVXNYELGEKWXIRM-UHFFFAOYSA-N
XLogP1.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186471
N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185682
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103503036
N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83179109
N-[[4-methyl-2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185479
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 103502946
N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105389234
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173
N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185384
N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185152
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 102967713
N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83179302

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine (CID 83185179) is N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(N2CCC(OCC)CC2)nc1C.
What is the InChIKey of N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is VXNYELGEKWXIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-16-10-13-11-17-15(18-12(13)3)19-8-6-14(7-9-19)20-5-2/h11,14,16H,4-10H2,1-3H3.
What are the key properties of N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83185179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).