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

C13H23N5O — CID 62535879

IUPAC3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
SMILESCOCC(C)(CN)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5O/c1-13(10-14,11-19-2)18-8-6-17(7-9-18)12-15-4-3-5-16-12/h3-5H,6-11,14H2,1-2H3
InChIKeyNKELURXSNYCVFK-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.04
Rot. Bonds5

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

3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine (PubChem CID 62535879) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
PubChem CID62535879
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
SMILESCOCC(C)(CN)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5O/c1-13(10-14,11-19-2)18-8-6-17(7-9-18)12-15-4-3-5-16-12/h3-5H,6-11,14H2,1-2H3
InChIKeyNKELURXSNYCVFK-UHFFFAOYSA-N
XLogP-0.04
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)heptan-1-amine
CID 80556440
2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine
CID 123876460
2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 63873972
2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 103152125
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 115354832
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine (CID 62535879) is 3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine is COCC(C)(CN)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine?
The InChIKey is NKELURXSNYCVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(10-14,11-19-2)18-8-6-17(7-9-18)12-15-4-3-5-16-12/h3-5H,6-11,14H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine?
3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine has a molecular weight of 265.36 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 62535879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).