6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine

C19H27N5 — CID 112862165

IUPAC6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
SMILESCCN(CC)c1cc(N2CCN(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C19H27N5/c1-3-23(4-2)18-14-19(21-16-20-18)24-12-10-22(11-13-24)15-17-8-6-5-7-9-17/h5-9,14,16H,3-4,10-13,15H2,1-2H3
InChIKeyDUVLHQZSDSAIED-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.64
Rot. Bonds6

About 6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine

6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine (PubChem CID 112862165) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
PubChem CID112862165
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
SMILESCCN(CC)c1cc(N2CCN(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C19H27N5/c1-3-23(4-2)18-14-19(21-16-20-18)24-12-10-22(11-13-24)15-17-8-6-5-7-9-17/h5-9,14,16H,3-4,10-13,15H2,1-2H3
InChIKeyDUVLHQZSDSAIED-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858075
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855661
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858251
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
CID 126850021
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 154883037
4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 58273412
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 83289215
4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
CID 112896283
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 122282156

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine (CID 112862165) is 6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine is CCN(CC)c1cc(N2CCN(Cc3ccccc3)CC2)ncn1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine?
The InChIKey is DUVLHQZSDSAIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-3-23(4-2)18-14-19(21-16-20-18)24-12-10-22(11-13-24)15-17-8-6-5-7-9-17/h5-9,14,16H,3-4,10-13,15H2,1-2H3.
What are the key properties of 6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine?
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine is sourced from PubChem (CID 112862165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).