2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine

C13H22N4O2 — CID 39804505

IUPAC2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
SMILESCOc1cc(N2CCC[C@@H](CCN)C2)nc(OC)n1
InChIInChI=1S/C13H22N4O2/c1-18-12-8-11(15-13(16-12)19-2)17-7-3-4-10(9-17)5-6-14/h8,10H,3-7,9,14H2,1-2H3/t10-/m0/s1
InChIKeyAUWFVXNLQUDNEB-JTQLQIEISA-N
MW266.34 g/mol
LogP1.06
Rot. Bonds5

About 2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine

2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine (PubChem CID 39804505) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
PubChem CID39804505
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
SMILESCOc1cc(N2CCC[C@@H](CCN)C2)nc(OC)n1
InChIInChI=1S/C13H22N4O2/c1-18-12-8-11(15-13(16-12)19-2)17-7-3-4-10(9-17)5-6-14/h8,10H,3-7,9,14H2,1-2H3/t10-/m0/s1
InChIKeyAUWFVXNLQUDNEB-JTQLQIEISA-N
XLogP1.06
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 72709190
4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 2736218
4,6-Dimethoxy-2-piperidin-4-ylpyrimidine
CID 2761142
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
(1-{[(2-Amino-6-methoxypyrimidin-4-yl)amino]methyl}cyclobutyl)methanol
CID 500508
1-(2-Amino-6-isopropoxypyrimidin-4-YL)piperidine-4-carboxamide
CID 50950377
(3R*,4R*)-1-(2-amino-6-isopropoxy-4-pyrimidinyl)-4-(hydroxymethyl)-3-piperidinol
CID 56894006
(3R*,4R*)-1-(2-amino-6-methoxy-4-pyrimidinyl)-3-cyclopropyl-4-methyl-3-pyrrolidinol
CID 72888379
6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 39818605

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine (CID 39804505) is 2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine is COc1cc(N2CCC[C@@H](CCN)C2)nc(OC)n1.
What is the InChIKey of 2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
The InChIKey is AUWFVXNLQUDNEB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O2/c1-18-12-8-11(15-13(16-12)19-2)17-7-3-4-10(9-17)5-6-14/h8,10H,3-7,9,14H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine has a molecular weight of 266.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 39804505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).