2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine

C26H40N6 — CID 142861903

IUPAC2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCCCCCCC2)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C26H40N6/c1-30(2)25-20-24(27-23-14-10-5-3-4-6-11-15-23)28-26(29-25)32-18-16-31(17-19-32)21-22-12-8-7-9-13-22/h7-9,12-13,20,23H,3-6,10-11,14-19,21H2,1-2H3,(H,27,28,29)
InChIKeyIEAJZPKJCRPCDV-UHFFFAOYSA-N
MW436.65 g/mol
LogP4.78
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine

2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 142861903) has the molecular formula C26H40N6 and a molecular weight of 436.65 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID142861903
Molecular FormulaC26H40N6
Molecular Weight436.65 g/mol
Exact Mass436.33
IUPAC Name2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCCCCCCC2)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C26H40N6/c1-30(2)25-20-24(27-23-14-10-5-3-4-6-11-15-23)28-26(29-25)32-18-16-31(17-19-32)21-22-12-8-7-9-13-22/h7-9,12-13,20,23H,3-6,10-11,14-19,21H2,1-2H3,(H,27,28,29)
InChIKeyIEAJZPKJCRPCDV-UHFFFAOYSA-N
XLogP4.78
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.65
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine
CID 112942226
2-(4-benzylpiperazin-1-yl)-6-N-(4-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863852
2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 10203425
2-(4-benzylpiperazin-1-yl)-6-N-[(2R,3R)-3-(2,2-dimethylcyclobutyl)butan-2-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 70948212
2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-(3-methylpenta-2,4-dien-2-yl)pyrimidine-4,6-diamine
CID 142861847
2-(4-benzylpiperazin-1-yl)-6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863836
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane
CID 142861908
2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine
CID 142861909
N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936505
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 142861903) is 2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NC2CCCCCCCC2)nc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is IEAJZPKJCRPCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6/c1-30(2)25-20-24(27-23-14-10-5-3-4-6-11-15-23)28-26(29-25)32-18-16-31(17-19-32)21-22-12-8-7-9-13-22/h7-9,12-13,20,23H,3-6,10-11,14-19,21H2,1-2H3,(H,27,28,29).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 436.65 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 142861903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).