6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

C18H25N5 — CID 122282072

IUPAC6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCc1ccc(C)c(N2CCN(c3cc(N(C)C)ncn3)CC2)c1
InChIInChI=1S/C18H25N5/c1-14-5-6-15(2)16(11-14)22-7-9-23(10-8-22)18-12-17(21(3)4)19-13-20-18/h5-6,11-13H,7-10H2,1-4H3
InChIKeyLAKJQJPSVLHCHE-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.49
Rot. Bonds3

About 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 122282072) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID122282072
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCc1ccc(C)c(N2CCN(c3cc(N(C)C)ncn3)CC2)c1
InChIInChI=1S/C18H25N5/c1-14-5-6-15(2)16(11-14)22-7-9-23(10-8-22)18-12-17(21(3)4)19-13-20-18/h5-6,11-13H,7-10H2,1-4H3
InChIKeyLAKJQJPSVLHCHE-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 122282072) is 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is Cc1ccc(C)c(N2CCN(c3cc(N(C)C)ncn3)CC2)c1.
What is the InChIKey of 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is LAKJQJPSVLHCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-5-6-15(2)16(11-14)22-7-9-23(10-8-22)18-12-17(21(3)4)19-13-20-18/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 122282072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).