2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine

C15H26N4O — CID 95220932

IUPAC2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine
SMILESCCCO[C@H]1CCCN(c2cc(CCN)nc(C)n2)C1
InChIInChI=1S/C15H26N4O/c1-3-9-20-14-5-4-8-19(11-14)15-10-13(6-7-16)17-12(2)18-15/h10,14H,3-9,11,16H2,1-2H3/t14-/m0/s1
InChIKeyRCXSMNNWDLQAKH-AWEZNQCLSA-N
MW278.40 g/mol
LogP1.68
Rot. Bonds6

About 2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine

2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine (PubChem CID 95220932) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine
PubChem CID95220932
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine
SMILESCCCO[C@H]1CCCN(c2cc(CCN)nc(C)n2)C1
InChIInChI=1S/C15H26N4O/c1-3-9-20-14-5-4-8-19(11-14)15-10-13(6-7-16)17-12(2)18-15/h10,14H,3-9,11,16H2,1-2H3/t14-/m0/s1
InChIKeyRCXSMNNWDLQAKH-AWEZNQCLSA-N
XLogP1.68
TPSA64.27 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine (CID 95220932) is 2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine is CCCO[C@H]1CCCN(c2cc(CCN)nc(C)n2)C1.
What is the InChIKey of 2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine?
The InChIKey is RCXSMNNWDLQAKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-9-20-14-5-4-8-19(11-14)15-10-13(6-7-16)17-12(2)18-15/h10,14H,3-9,11,16H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine?
2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[(3S)-3-propoxypiperidin-1-yl]pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 95220932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).