2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine

C19H32N6 — CID 126892620

IUPAC2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CC(N3CCN(C4CCCCC4)CC3)C2)n1
InChIInChI=1S/C19H32N6/c1-22(2)18-8-9-20-19(21-18)25-14-17(15-25)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h8-9,16-17H,3-7,10-15H2,1-2H3
InChIKeyCCJWWRQTIRHTIQ-UHFFFAOYSA-N
MW344.51 g/mol
LogP1.68
Rot. Bonds4

About 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine

2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 126892620) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID126892620
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC Name2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CC(N3CCN(C4CCCCC4)CC3)C2)n1
InChIInChI=1S/C19H32N6/c1-22(2)18-8-9-20-19(21-18)25-14-17(15-25)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h8-9,16-17H,3-7,10-15H2,1-2H3
InChIKeyCCJWWRQTIRHTIQ-UHFFFAOYSA-N
XLogP1.68
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 126892620) is 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine is CN(C)c1ccnc(N2CC(N3CCN(C4CCCCC4)CC3)C2)n1.
What is the InChIKey of 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is CCJWWRQTIRHTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6/c1-22(2)18-8-9-20-19(21-18)25-14-17(15-25)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h8-9,16-17H,3-7,10-15H2,1-2H3.
What are the key properties of 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 344.51 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 126892620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).