2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine

C15H22N4 — CID 82245730

IUPAC2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCN1CCN(c2ccccc2C2=NCCCN2)CC1
InChIInChI=1S/C15H22N4/c1-18-9-11-19(12-10-18)14-6-3-2-5-13(14)15-16-7-4-8-17-15/h2-3,5-6H,4,7-12H2,1H3,(H,16,17)
InChIKeyNRNWMGYHXBAUJK-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.18
Rot. Bonds2

About 2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine

2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82245730) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82245730
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCN1CCN(c2ccccc2C2=NCCCN2)CC1
InChIInChI=1S/C15H22N4/c1-18-9-11-19(12-10-18)14-6-3-2-5-13(14)15-16-7-4-8-17-15/h2-3,5-6H,4,7-12H2,1H3,(H,16,17)
InChIKeyNRNWMGYHXBAUJK-UHFFFAOYSA-N
XLogP1.18
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidin-4-yl]methanol
CID 82245811
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953
4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117399587
2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol
CID 82243113
1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine
CID 117431613
N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82249227
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 82250249
[1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol
CID 82247966
4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol
CID 82247068
2-phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 576157
5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
CID 137209925
2-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 82252663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82245730) is 2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine is CN1CCN(c2ccccc2C2=NCCCN2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is NRNWMGYHXBAUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18-9-11-19(12-10-18)14-6-3-2-5-13(14)15-16-7-4-8-17-15/h2-3,5-6H,4,7-12H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 258.37 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82245730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).