4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one

C14H23N5O2 — CID 133464184

IUPAC4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCOCCCN(C)c1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C14H23N5O2/c1-17(5-4-8-21-3)12-9-13(16-11-15-12)19-7-6-18(2)14(20)10-19/h9,11H,4-8,10H2,1-3H3
InChIKeyAGMFLHZZVJQJEH-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.23
Rot. Bonds6

About 4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 133464184) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID133464184
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCOCCCN(C)c1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C14H23N5O2/c1-17(5-4-8-21-3)12-9-13(16-11-15-12)19-7-6-18(2)14(20)10-19/h9,11H,4-8,10H2,1-3H3
InChIKeyAGMFLHZZVJQJEH-UHFFFAOYSA-N
XLogP0.23
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464720
4-[[methyl-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 133489434
4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 90453878
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464582
N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine
CID 112863711
4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464424
4-[6-[3-(1-methoxypropan-2-yloxy)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 123557482
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744
4-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 138033398
6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 91792506
4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 100648289

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 133464184) is 4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one is COCCCN(C)c1cc(N2CCN(C)C(=O)C2)ncn1.
What is the InChIKey of 4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is AGMFLHZZVJQJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17(5-4-8-21-3)12-9-13(16-11-15-12)19-7-6-18(2)14(20)10-19/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 293.37 g/mol, XLogP of 0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 133464184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).