3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine

C14H24N4O3 — CID 115355389

IUPAC3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine
SMILESCOc1cc(OC)nc(N2CCC(OCCCN)CC2)n1
InChIInChI=1S/C14H24N4O3/c1-19-12-10-13(20-2)17-14(16-12)18-7-4-11(5-8-18)21-9-3-6-15/h10-11H,3-9,15H2,1-2H3
InChIKeyJHJJQUCKMZGUMT-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.83
Rot. Bonds7

About 3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine

3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 115355389) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine
PubChem CID115355389
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine
SMILESCOc1cc(OC)nc(N2CCC(OCCCN)CC2)n1
InChIInChI=1S/C14H24N4O3/c1-19-12-10-13(20-2)17-14(16-12)18-7-4-11(5-8-18)21-9-3-6-15/h10-11H,3-9,15H2,1-2H3
InChIKeyJHJJQUCKMZGUMT-UHFFFAOYSA-N
XLogP0.83
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736901
2-[4-(chloromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 113293068
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidin-4-amine
CID 115354664
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carbaldehyde
CID 115355577
3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 79735589
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732597
3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine
CID 79734904
2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
CID 115355746
4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978749
3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 106553112

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine (CID 115355389) is 3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine is COc1cc(OC)nc(N2CCC(OCCCN)CC2)n1.
What is the InChIKey of 3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is JHJJQUCKMZGUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-19-12-10-13(20-2)17-14(16-12)18-7-4-11(5-8-18)21-9-3-6-15/h10-11H,3-9,15H2,1-2H3.
What are the key properties of 3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 296.37 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 115355389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).