6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine

C20H28N6 — CID 19139366

IUPAC6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine
SMILESNc1c(NC2CCCC2)ncnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N6/c21-18-19(24-17-8-4-5-9-17)22-15-23-20(18)26-12-10-25(11-13-26)14-16-6-2-1-3-7-16/h1-3,6-7,15,17H,4-5,8-14,21H2,(H,22,23,24)
InChIKeyDMYFXNPAPYZPDJ-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.74
Rot. Bonds5

About 6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine

6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine (PubChem CID 19139366) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine
PubChem CID19139366
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine
SMILESNc1c(NC2CCCC2)ncnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N6/c21-18-19(24-17-8-4-5-9-17)22-15-23-20(18)26-12-10-25(11-13-26)14-16-6-2-1-3-7-16/h1-3,6-7,15,17H,4-5,8-14,21H2,(H,22,23,24)
InChIKeyDMYFXNPAPYZPDJ-UHFFFAOYSA-N
XLogP2.74
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
6-(4-benzylpiperazin-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19139283
6-(4-benzylpiperazin-1-yl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
CID 19139365
6-(4-benzylpiperazin-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19139295
4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137769
6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136894
6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135747
6-(4-benzylpiperazin-1-yl)-4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 19139389
N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19139319
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19139326
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138132

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine (CID 19139366) is 6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine is Nc1c(NC2CCCC2)ncnc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine?
The InChIKey is DMYFXNPAPYZPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c21-18-19(24-17-8-4-5-9-17)22-15-23-20(18)26-12-10-25(11-13-26)14-16-6-2-1-3-7-16/h1-3,6-7,15,17H,4-5,8-14,21H2,(H,22,23,24).
What are the key properties of 6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine?
6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine has a molecular weight of 352.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine is sourced from PubChem (CID 19139366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).