1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine

C13H23N5O — CID 107505301

IUPAC1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
SMILESCNC(COC)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5O/c1-14-12(11-19-2)10-17-6-8-18(9-7-17)13-15-4-3-5-16-13/h3-5,12,14H,6-11H2,1-2H3
InChIKeyXIPYHNYDXZYQDK-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.17
Rot. Bonds6

About 1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine

1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine (PubChem CID 107505301) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
PubChem CID107505301
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
SMILESCNC(COC)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5O/c1-14-12(11-19-2)10-17-6-8-18(9-7-17)13-15-4-3-5-16-13/h3-5,12,14H,6-11H2,1-2H3
InChIKeyXIPYHNYDXZYQDK-UHFFFAOYSA-N
XLogP-0.17
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 104744506
N-ethyl-1-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 107505304
1-(azepan-1-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505254
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
1-(4-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 4041027
1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 107505701
(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818
2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
CID 45217191
methyl 4-[(2R)-2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoate
CID 52532865
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 5150847
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53347090

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine (CID 107505301) is 1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine is CNC(COC)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine?
The InChIKey is XIPYHNYDXZYQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-14-12(11-19-2)10-17-6-8-18(9-7-17)13-15-4-3-5-16-13/h3-5,12,14H,6-11H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine?
1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine has a molecular weight of 265.36 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 107505301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).