N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine

C15H26N4O — CID 115975647

IUPACN-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(c2nccc(OCC)n2)C1
InChIInChI=1S/C15H26N4O/c1-3-8-16-11-13-6-5-10-19(12-13)15-17-9-7-14(18-15)20-4-2/h7,9,13,16H,3-6,8,10-12H2,1-2H3
InChIKeyRHXOFVYCKZALDL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds7

About N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine

N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine (PubChem CID 115975647) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
PubChem CID115975647
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(c2nccc(OCC)n2)C1
InChIInChI=1S/C15H26N4O/c1-3-8-16-11-13-6-5-10-19(12-13)15-17-9-7-14(18-15)20-4-2/h7,9,13,16H,3-6,8,10-12H2,1-2H3
InChIKeyRHXOFVYCKZALDL-UHFFFAOYSA-N
XLogP2.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 115975651
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol
CID 131916729
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 103386341
N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62586883
1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 112638856
1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 112635932
N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 62958741
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 63853891
N-[[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 112639097

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine (CID 115975647) is N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(c2nccc(OCC)n2)C1.
What is the InChIKey of N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is RHXOFVYCKZALDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-8-16-11-13-6-5-10-19(12-13)15-17-9-7-14(18-15)20-4-2/h7,9,13,16H,3-6,8,10-12H2,1-2H3.
What are the key properties of N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine?
N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 115975647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).