6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine

C22H33N7 — CID 112870952

IUPAC6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3ccc(N4CCN(C)CC4)cc3)nc(C)n2)CC1
InChIInChI=1S/C22H33N7/c1-4-27-11-15-29(16-12-27)22-17-21(23-18(2)24-22)25-19-5-7-20(8-6-19)28-13-9-26(3)10-14-28/h5-8,17H,4,9-16H2,1-3H3,(H,23,24,25)
InChIKeyHTSROYBFLARQJA-UHFFFAOYSA-N
MW395.56 g/mol
LogP2.42
Rot. Bonds5

About 6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine

6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine (PubChem CID 112870952) has the molecular formula C22H33N7 and a molecular weight of 395.56 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
PubChem CID112870952
Molecular FormulaC22H33N7
Molecular Weight395.56 g/mol
Exact Mass395.28
IUPAC Name6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3ccc(N4CCN(C)CC4)cc3)nc(C)n2)CC1
InChIInChI=1S/C22H33N7/c1-4-27-11-15-29(16-12-27)22-17-21(23-18(2)24-22)25-19-5-7-20(8-6-19)28-13-9-26(3)10-14-28/h5-8,17H,4,9-16H2,1-3H3,(H,23,24,25)
InChIKeyHTSROYBFLARQJA-UHFFFAOYSA-N
XLogP2.42
TPSA50.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.56
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112870948
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112870788
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 99968449
N-(3-chloro-4-fluorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870917
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
methyl 4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 99968498
2-methyl-6-N-(3-methylbutyl)-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112876201
2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 91527858
N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870959
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine (CID 112870952) is 6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine is CCN1CCN(c2cc(Nc3ccc(N4CCN(C)CC4)cc3)nc(C)n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
The InChIKey is HTSROYBFLARQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7/c1-4-27-11-15-29(16-12-27)22-17-21(23-18(2)24-22)25-19-5-7-20(8-6-19)28-13-9-26(3)10-14-28/h5-8,17H,4,9-16H2,1-3H3,(H,23,24,25).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine has a molecular weight of 395.56 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 112870952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).