2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine

C12H20N4O — CID 171069544

IUPAC2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
SMILESCOCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H20N4O/c1-17-11-3-6-15-7-9-16(10-8-15)12-13-4-2-5-14-12/h2,4-5H,3,6-11H2,1H3
InChIKeyARSWMFWWKQDAIA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.64
Rot. Bonds5

About 2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine

2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine (PubChem CID 171069544) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
PubChem CID171069544
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
SMILESCOCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H20N4O/c1-17-11-3-6-15-7-9-16(10-8-15)12-13-4-2-5-14-12/h2,4-5H,3,6-11H2,1H3
InChIKeyARSWMFWWKQDAIA-UHFFFAOYSA-N
XLogP0.64
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine
CID 139654545
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 86976676
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
2-[4-[3-(1,3-benzodioxol-5-yloxy)propyl]piperazin-1-yl]pyrimidine
CID 13309342
1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 107505301
2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257940
2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 103152125
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine (CID 171069544) is 2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine is COCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine?
The InChIKey is ARSWMFWWKQDAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-17-11-3-6-15-7-9-16(10-8-15)12-13-4-2-5-14-12/h2,4-5H,3,6-11H2,1H3.
What are the key properties of 2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine?
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine has a molecular weight of 236.32 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171069544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).