2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride

C16H21ClN4 — CID 16805641

IUPAC2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc(C)n1.Cl
InChIInChI=1S/C16H20N4.ClH/c1-13-12-16(18-14(2)17-13)20-10-8-19(9-11-20)15-6-4-3-5-7-15;/h3-7,12H,8-11H2,1-2H3;1H
InChIKeyDDGMEFKZSGZIPQ-UHFFFAOYSA-N
MW304.83 g/mol
LogP2.84
Rot. Bonds2

About 2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride

2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride (PubChem CID 16805641) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
PubChem CID16805641
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc(C)n1.Cl
InChIInChI=1S/C16H20N4.ClH/c1-13-12-16(18-14(2)17-13)20-10-8-19(9-11-20)15-6-4-3-5-7-15;/h3-7,12H,8-11H2,1-2H3;1H
InChIKeyDDGMEFKZSGZIPQ-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523
4-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130235
2-(4-Methylpiperazin-1-yl)quinazolin-4-amine
CID 1403136
2-[4-(4-Fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 3165129
N4-benzyl-6-methyl-N2-phenyl-pyrimidine-2,4-diamine
CID 5276763
[6-Methyl-2-(phenylamino)pyrimidin-4-yl]phenylamine
CID 673737
2-(Pyridin-2-yl)pyrimidin-4-amine
CID 12403616

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride?
The IUPAC name of 2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride (CID 16805641) is 2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride?
The canonical SMILES for 2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride is Cc1cc(N2CCN(c3ccccc3)CC2)nc(C)n1.Cl.
What is the InChIKey of 2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride?
The InChIKey is DDGMEFKZSGZIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4.ClH/c1-13-12-16(18-14(2)17-13)20-10-8-19(9-11-20)15-6-4-3-5-7-15;/h3-7,12H,8-11H2,1-2H3;1H.
What are the key properties of 2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride?
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride has a molecular weight of 304.83 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride is sourced from PubChem (CID 16805641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).