N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine

C20H25N7O — CID 95774401

IUPACN,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
SMILESC[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C20H25N7O/c1-15(18-23-24-19(28-18)16-7-5-4-6-8-16)26-11-13-27(14-12-26)17-9-10-21-20(22-17)25(2)3/h4-10,15H,11-14H2,1-3H3/t15-/m0/s1
InChIKeyVYDVECSOJCGKLW-HNNXBMFYSA-N
MW379.47 g/mol
LogP2.48
Rot. Bonds5

About N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine

N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 95774401) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID95774401
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC NameN,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
SMILESC[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C20H25N7O/c1-15(18-23-24-19(28-18)16-7-5-4-6-8-16)26-11-13-27(14-12-26)17-9-10-21-20(22-17)25(2)3/h4-10,15H,11-14H2,1-3H3/t15-/m0/s1
InChIKeyVYDVECSOJCGKLW-HNNXBMFYSA-N
XLogP2.48
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine (CID 95774401) is N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine is C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccnc(N(C)C)n2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is VYDVECSOJCGKLW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-15(18-23-24-19(28-18)16-7-5-4-6-8-16)26-11-13-27(14-12-26)17-9-10-21-20(22-17)25(2)3/h4-10,15H,11-14H2,1-3H3/t15-/m0/s1.
What are the key properties of N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 379.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 95774401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).